CAS: 58-08-2 Summenformel: C8H10N4O2 Molekulargewicht (g/mol): 194.19 MDL-Nummer: MFCD00005758 InChI-Schlüssel: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: alert-pep, theine, mateina, koffein, methyltheobromine, cafeina, thein, guaranine, 1,3,7-trimethylxanthine, caffeine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC-Name: 1,3,7-Trimethylpurin-2,6-Dion SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

CAS: 73-24-5 Summenformel: C5H5N5 Molekulargewicht (g/mol): 135.13 MDL-Nummer: MFCD00041790 InChI-Schlüssel: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: 6-amino-3h-purine, 6-amino-1h-purine, leuco-4, adeninimine, adenin, vitamin b4, 9h-purin-6-amine, 6-aminopurine, 1h-purin-6-amine, adenine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC-Name: 7H-Purin-6-Amin SMILES: C1=NC2=C(N1)C(=NC=N2)N

CAS: 73-24-5 Summenformel: C₅H₅N₅ Molekulargewicht (g/mol): 135.13 MDL-Nummer: MFCD00041790 InChI-Schlüssel: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: 6-amino-3h-purine, 6-amino-1h-purine, leuco-4, adeninimine, adenin, vitamin b4, 9h-purin-6-amine, 6-aminopurine, 1h-purin-6-amine, adenine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC-Name: 7H-Purin-6-Amin SMILES: C1=NC2=C(N1)C(=NC=N2)N

CAS: 83-67-0 Summenformel: C7H8N4O2 Molekulargewicht (g/mol): 180.167 MDL-Nummer: MFCD00022830 InChI-Schlüssel: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromin, thesal, thesodate, santheose, theostene, theosalvose, teobromin, diurobromine, 3,7-dimethylxanthine, theobromine PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC-Name: 3,7-Dimethylpurin-2,6-Dion SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

CAS: 69-89-6 Summenformel: C₅H₄N₄O₂ Molekulargewicht (g/mol): 152.11 MDL-Nummer: MFCD00078453 InChI-Schlüssel: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: 9h-purine-2,6-diol, 1h-purine-2,6-diol, xanthic oxide, isoxanthine, 1h-purine-2,6 3h,7h-dione, pseudoxanthine, 2,6-dioxopurine, xanthin, 2,6-dihydroxypurine, xanthine PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC-Name: 3,7-Dihydropurin-2,6-Dion SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

CAS: 69-93-2 Summenformel: C5H4N4O3 Molekulargewicht (g/mol): 168.112 MDL-Nummer: MFCD00005712 InChI-Schlüssel: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: 1h-purine-2,6,8 3h-trione, 7,9-dihydro, 7,9-dihydro-1h-purine-2,6,8 3h-trione, 8-hydroxyxanthine, 1h-purine-2,6,8-triol, 2,6,8-trioxopurine, 2,6,8-trihydroxypurine, lithic acid, 2,6,8-trioxypurine, urate, uric acid PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC-Name: 7,9-Dihydro-3H-Purin-2,6,8-Trion SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

CAS: 6410-10-2 Summenformel: C16H11N3O3 Molekulargewicht (g/mol): 293.28 MDL-Nummer: MFCD00003908 InChI-Schlüssel: ACHQDMGGRZPFAW-VLGSPTGOSA-N ChEBI: CHEBI:7986

CAS: 321-30-2 Summenformel: C10H12N10O4S Molekulargewicht (g/mol): 368.33 MDL-Nummer: MFCD00213655 InChI-Schlüssel: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: unii-741gjf3k9m, diadenine sulphate, 1h-purin-6-amine, sulfate 2:1, adeninsulfat german, adenine sulfate 2:1, adeninium sulfate, adeninsulfat, 7h-purin-6-amine sulfate 2:1, adenine hemisulfate, adenine sulfate PubChem CID: 9449 IUPAC-Name: 7H-Purin-6-Amin;Schwefelsäure SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

CAS: 2465-59-0 Summenformel: C5H4N4O2 Molekulargewicht (g/mol): 152.113 MDL-Nummer: MFCD00056934 InChI-Schlüssel: HXNFUBHNUDHIGC-UHFFFAOYSA-N Synonym: alloxanthin van, 1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione, oxipurinolum, 1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione, 4,6-dihydroxypyrazolo 3,4-d pyrimidine, oxoallopurinol, 1h-pyrazolo 3,4-d pyrimidine-4,6-diol, alloxanthine, oxipurinol, oxypurinol PubChem CID: 4644 ChEBI: CHEBI:28315 IUPAC-Name: 1,2-Dihydropyrazolo[3,4-d]Pyrimidin-4,6-Dion SMILES: C1=C2C(=NC(=O)NC2=O)NN1

CAS: 69-22-7 Summenformel: C₈H₁₀N₄O₂·C₆H₈O₇ Molekulargewicht (g/mol): 386.31 InChI-Schlüssel: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: dsstox_cid_26938, 1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione, citric acid, compd. with caffeine 1:1, unii-u26eo4675q, caffeine citrated, caffeine citrate 1:1, citrated caffein, caffeina citrate, caffeine, citrated, caffeine citrate PubChem CID: 6241 IUPAC-Name: 2-Hydroxypropan-1,2,3-Tricarbonsäure;1,3,7-Trimethylpurin-2,6-Dion SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

CAS: 28822-58-4 Summenformel: C10H14N4O2 Molekulargewicht (g/mol): 222.25 MDL-Nummer: MFCD00005584 InChI-Schlüssel: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: methyl-isobutylxanthine, 1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl, 3-isobutyl-1-methyxanthine, xanthine, 3-isobutyl-1-methyl, 3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione, methylisobutylxanthine, 1-methyl-3-isobutylxanthine, isobutylmethylxanthine, ibmx, 3-isobutyl-1-methylxanthine PubChem CID: 3758 ChEBI: CHEBI:43253 SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O

CAS: 652-37-9 Summenformel: C9H9N4NaO4 Molekulargewicht (g/mol): 260.19 MDL-Nummer: MFCD00022832 InChI-Schlüssel: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: 7-theophyllineacetic acid, 7-theophyllinessigsaeure, theophyllin-7-ylacetic acid, 7-theophyllinylacetic acid, 7-carboxymethyl theophylline, carboxymethyltheophylline, theophyllineacetic acid, acephylline, theophylline-7-acetic acid, acefylline PubChem CID: 69550 IUPAC-Name: 2-(1,3-Dimethyl-2,6-Dioxopurin-7-yl)Ethansäure SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O

CAS: 69-93-2 Summenformel: C5H4N4O3 Molekulargewicht (g/mol): 168.112 MDL-Nummer: MFCD00005712 InChI-Schlüssel: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: 1h-purine-2,6,8 3h-trione, 7,9-dihydro, 7,9-dihydro-1h-purine-2,6,8 3h-trione, 8-hydroxyxanthine, 1h-purine-2,6,8-triol, 2,6,8-trioxopurine, 2,6,8-trihydroxypurine, lithic acid, 2,6,8-trioxypurine, urate, uric acid PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC-Name: 7,9-Dihydro-3H-purin-2,6,8-trion SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

CAS: 321-30-2 Summenformel: C10H12N10O4S Molekulargewicht (g/mol): 368.33 MDL-Nummer: MFCD00213655 InChI-Schlüssel: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: unii-741gjf3k9m, diadenine sulphate, 1h-purin-6-amine, sulfate 2:1, adeninsulfat german, adenine sulfate 2:1, adeninium sulfate, adeninsulfat, 7h-purin-6-amine sulfate 2:1, adenine hemisulfate, adenine sulfate PubChem CID: 9449 IUPAC-Name: bis(7H-purin-6-amine); sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

CAS: 202138-50-9 Summenformel: C₁₉H₃₀N₅O₁₀P·C₄H₄O₄ Molekulargewicht (g/mol): 635.51 InChI-Schlüssel: VCMJCVGFSROFHV-WZGZYPNHSA-N Synonym: 9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate 1:1, r-5-2-6-amino-9h-purin-9-yl-1-methylethoxy methyl-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis 1-methylethyl ester, 5-oxide, e-2-butenedioate 1:1, 9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine, fumarate, 9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate, tenofovir disoproxil fumarate usan, unii-ott9j7900i, tenofovir df, viread, tenofovir disoproxil fumarate PubChem CID: 6398764 ChEBI: CHEBI:63718 IUPAC-Name: [[(2R)-1-(6-Aminopurin-9-yl)Propan-2-yl]Oxymethyl-(Propan-2-yloxycarbonyloxymethoxy)Phosphoryl]Oxymethylpropan-2-ylcarbonat;(E)-But-2-Enodionsäure SMILES: CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O

CAS: 6112-76-1 Summenformel: C5H6N4OS Molekulargewicht (g/mol): 170.19 MDL-Nummer: MFCD03854445,MFCD01461928 InChI-Schlüssel: WFFQYWAAEWLHJC-UHFFFAOYSA-N Synonym: unii-e7wed276i5, purine-6-thiol, monohydrate, 1,7-dihydro-6h-purine-6-thione monohydrate, purine-6-thiol monohydrate, 6,7-dihydro-3h-purine-6-thione hydrate, 6h-purine-6-thione, 1,7-dihydro-, monohydrate, mercaptopurine hydrate, mercaptopurine monohydrate, 6-mercaptopurine hydrate, 6-mercaptopurine monohydrate PubChem CID: 2724350 ChEBI: CHEBI:31822 IUPAC-Name: 3,7-Dihydropurin-6-Thion;Hydrat SMILES: O.S=C1N=CNC2=C1NC=N2

CAS: 58-08-2 Summenformel: C8H10N4O2 Molekulargewicht (g/mol): 194.19 MDL-Nummer: MFCD00005758 InChI-Schlüssel: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: alert-pep, theine, mateina, koffein, methyltheobromine, cafeina, thein, guaranine, 1,3,7-trimethylxanthine, caffeine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC-Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

CAS: 362-75-4 Summenformel: C13H17N5O4 Molekulargewicht (g/mol): 307.31 MDL-Nummer: MFCD00005756,MFCD00063878 InChI-Schlüssel: LCCLUOXEZAHUNS-UHFFFAOYNA-N Synonym: pubchem14185, 3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol, 3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol, 1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol, 2 ,3-o-isopropylideneadenosine, 3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol, 2',3'-isopropylideneadenosine, 3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol, 2',3'-o-isopropylideneadenosine PubChem CID: 2723654 SMILES: CC1(C)OC2C(CO)OC(C2O1)N1C=NC2=C(N)N=CN=C12

CAS: 80791-87-3 Summenformel: C11H16N6O4 Molekulargewicht (g/mol): 296.287 MDL-Nummer: MFCD01630959 InChI-Schlüssel: JLWUWXCKSOIFPS-KQYNXXCUSA-N Synonym: 2,6-diamino-9-2'-o-methyl-beta-d-ribofuranosyl purine, 2,6-diamino-9-2-o-methyl-beta-d-ribofuranosyl purine, 2?-o-methyl-2,6-diaminopurine-riboside, adenosine, 2-amino-2'-o-methyl, 2-nh2-2'-o-me-a, 2'-o-methyl-2-aminoadenosine, 2r,3r,4r,5r-5-2,6-diaminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol, 2-amino-2'-o-methyl-adenosine, 2'-o-methyl-2,6-diaminopurine-riboside, 2-amino-2'-o-methyladenosine PubChem CID: 9900805 IUPAC-Name: (2R,3R,4R,5R)-5-(2,6-Diaminpurin-9-yl)-2-(hydroxymethyl)-4-methoxoxolan-3-ol SMILES: COC1C(C(OC1N2C=NC3=C2N=C(N=C3N)N)CO)O

CAS: 2003-10-3 Summenformel: C9H6BrF3O Molekulargewicht (g/mol): 267.05 MDL-Nummer: MFCD03094283 InChI-Schlüssel: TZIYNLSEBAYCBZ-UHFFFAOYSA-N

CAS: 6112-76-1 Summenformel: C5H6N4OS Molekulargewicht (g/mol): 170.19 MDL-Nummer: MFCD03854445,MFCD01461928 InChI-Schlüssel: WFFQYWAAEWLHJC-UHFFFAOYSA-N Synonym: unii-e7wed276i5, purine-6-thiol, monohydrate, 1,7-dihydro-6h-purine-6-thione monohydrate, purine-6-thiol monohydrate, 6,7-dihydro-3h-purine-6-thione hydrate, 6h-purine-6-thione, 1,7-dihydro-, monohydrate, mercaptopurine hydrate, mercaptopurine monohydrate, 6-mercaptopurine hydrate, 6-mercaptopurine monohydrate PubChem CID: 2724350 ChEBI: CHEBI:31822 IUPAC-Name: 6,7-dihydro-3H-purine-6-thione hydrate SMILES: O.S=C1N=CNC2=C1NC=N2

CAS: 479-18-5 Summenformel: C₁₀H₁₄N₄O₄ Molekulargewicht (g/mol): 254.24 MDL-Nummer: MFCD00005759 InChI-Schlüssel: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonym: diprofilline, aristophyllin, lufyllin, neothylline, glyphylline, diprophyllin, 7-2,3-dihydroxypropyl theophylline, diphylline, diprophylline, dyphylline PubChem CID: 3182 ChEBI: CHEBI:4728 IUPAC-Name: 7-(2,3-Dihydroxypropyl)-1,3-Dimethylpurin-2,6-Dion SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O

CAS: 58-08-2 Summenformel: C8H10N4O2 Molekulargewicht (g/mol): 194.19 MDL-Nummer: MFCD00005758 InChI-Schlüssel: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: alert-pep, theine, mateina, koffein, methyltheobromine, cafeina, thein, guaranine, 1,3,7-trimethylxanthine, caffeine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC-Name: 1,3,7-Trimethylpurin-2,6-Dion SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

CAS: 5142-22-3 Summenformel: C₆H₇N₅ Molekulargewicht (g/mol): 149.15 MDL-Nummer: MFCD00010532 InChI-Schlüssel: HPZMWTNATZPBIH-UHFFFAOYSA-N Synonym: 1-methylhydropurine-6-ylamine, 1-methyl-9h-purin-6-imine, 1-methyl-adenine, 6h-purin-6-imine, 1,9-dihydro-1-methyl, 1-methyl-1h-purin-6-ylamine, n1-methyladenine, adenine, 1-methyl, 1h-purin-6-amine, 1-methyl, 1-methyl-1h-purin-6-amine, 1-methyladenine PubChem CID: 78821 ChEBI: CHEBI:18083 IUPAC-Name: 1-Methylpurin-6-Amin SMILES: CN1C=NC2=NC=NC2=C1N

CAS: 362-75-4 Summenformel: C13H17N5O4 Molekulargewicht (g/mol): 307.31 MDL-Nummer: MFCD00005756,MFCD00063878 InChI-Schlüssel: LCCLUOXEZAHUNS-UHFFFAOYNA-N Synonym: pubchem14185, 3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol, 3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol, 1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol, 2 ,3-o-isopropylideneadenosine, 3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol, 2',3'-isopropylideneadenosine, 3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol, 2',3'-o-isopropylideneadenosine PubChem CID: 2723654 IUPAC-Name: [(3aR,4R,6R,6aR)-4-(6-Aminopurin-9-yl)-2,2-Dimethyl-3a,4,66-a-Tetrahydrofuran[3,4-d][1,3]dioxol-6-yl]methanol SMILES: CC1(C)OC2C(CO)OC(C2O1)N1C=NC2=C(N)N=CN=C12

CAS: 69-89-6 Summenformel: C5H4N4O2 Molekulargewicht (g/mol): 152.113 MDL-Nummer: MFCD00078453 InChI-Schlüssel: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: 9h-purine-2,6-diol, 1h-purine-2,6-diol, xanthic oxide, isoxanthine, 1h-purine-2,6 3h,7h-dione, pseudoxanthine, 2,6-dioxopurine, xanthin, 2,6-dihydroxypurine, xanthine PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC-Name: 3,7-Dihydropurin-2,6-Dion SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

CAS: 58-55-9 Summenformel: C₇H₈N₄O₂ Molekulargewicht (g/mol): 180.17 MDL-Nummer: MFCD00079619 InChI-Schlüssel: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theo-dur, theocin, respbid, theophylline anhydrous, nuelin, theolair, theophyllin, elixophyllin, 1,3-dimethylxanthine, theophylline PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC-Name: 1,3-Dimethyl-7H-Purin-2,6-Dion SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2