Imidazopyrimidines

Theobromine, 99%, ACROS Organics™

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromine, 3,7-dimethylxanthine, diurobromine, teobromin, theosalvose, theostene, santheose, thesodate, thesal, theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

Uric acid, +99%, ACROS Organics™

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

Alfa Aesar™ Uric acid, 99%

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

Caffeine, 99%, Alfa Aesar™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine, 1,3,7-trimethylxanthine, guaranine, thein, cafeina, methyltheobromine, koffein, mateina, theine, alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Adenine, 99%, Alfa Aesar™

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

Caffeine, 98.5%, specified according to the req. of USP/BP, ACROS Organics™

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

Theophylline, 99+%, anhydrous, ACROS Organics™

CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline, 1,3-dimethylxanthine, elixophyllin, theophyllin, theolair, nuelin, theophylline anhydrous, respbid, theocin, theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

Caffeine, 99.7%, Alfa Aesar™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine, 1,3,7-trimethylxanthine, guaranine, thein, cafeina, methyltheobromine, koffein, mateina, theine, alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Adenine, 99%, ACROS Organics™

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

4,6-Dihydroxypyrazolo[3,4-d]pyrimidine, 99%, ACROS Organics™

CAS: 2465-59-0 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00056934 InChI Key: HXNFUBHNUDHIGC-UHFFFAOYSA-N Synonym: oxypurinol, oxipurinol, alloxanthine, 1h-pyrazolo 3,4-d pyrimidine-4,6-diol, oxoallopurinol, 4,6-dihydroxypyrazolo 3,4-d pyrimidine, 1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione, oxipurinolum, 1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione, alloxanthin van PubChem CID: 4644 ChEBI: CHEBI:28315 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione SMILES: C1=C2C(=NC(=O)NC2=O)NN1

Adenine sulfate, 98%, synthetic, ACROS Organics™

CAS: 321-30-2 Molecular Formula: 0·5 H2O4S Molecular Weight (g/mol): 184.17 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: adenine sulfate, adenine hemisulfate, 7h-purin-6-amine sulfate 2:1, adeninsulfat, adeninium sulfate, adenine sulfate 2:1, adeninsulfat german, 1h-purin-6-amine, sulfate 2:1, diadenine sulphate, unii-741gjf3k9m PubChem CID: 9449 IUPAC Name: 7H-purin-6-amine;sulfuric acid SMILES: C1=NC2=C(N1)C(=NC=N2)N.C1=NC2=C(N1)C(=NC=N2)N.OS(=O)(=O)O

Xanthine, 98%, ACROS Organics™

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

1-Methyladenine, 98+%, ACROS Organics™

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

Alfa Aesar™ Xanthine, 99%

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

6-Thioguanine, 98%, Alfa Aesar™

CAS: 154-42-7 Molecular Formula: C5H5N5S Molecular Weight (g/mol): 167.19 MDL Number: MFCD00233553 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Synonym: 6-thioguanine, thioguanine, tioguanine, 2-amino-6-mercaptopurine, 6-mercaptoguanine, tioguanin, tabloid, lanvis, 2-amino-6-purinethiol, 2-aminopurine-6-thiol PubChem CID: 2723601 ChEBI: CHEBI:9555 IUPAC Name: 2-amino-3,7-dihydropurine-6-thione SMILES: C1=NC2=C(N1)C(=S)N=C(N2)N

Tenofovir disoproxil fumarate, 98%, ACROS Organics™

CAS: 202138-50-9 Molecular Formula: C19H30N5O10P·C4H4O4 Molecular Weight (g/mol): 635.51 InChI Key: VCMJCVGFSROFHV-WZGZYPNHSA-N Synonym: tenofovir disoproxil fumarate, viread, tenofovir df, unii-ott9j7900i, tenofovir disoproxil fumarate usan, 9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate, 9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine, fumarate, 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 1:1 PubChem CID: 6398764 ChEBI: CHEBI:63718 IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid 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

Alfa Aesar™ Theobromine, 99%

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromine, 3,7-dimethylxanthine, diurobromine, teobromin, theosalvose, theostene, santheose, thesodate, thesal, theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

Alfa Aesar™ 2-Amino-6-hydroxy-8-mercaptopurine, 97%

CAS: 28128-40-7 Molecular Formula: C5H5N5OS Molecular Weight (g/mol): 183.189 MDL Number: MFCD00075623 InChI Key: JHEKNTQSGTVPAO-UHFFFAOYSA-N Synonym: 2-amino-6-hydroxy-8-mercaptopurine, 8-mercaptoguanine, 2-amino-8-mercapto-7h-purin-6-ol, 2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one, 2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one, 2-amino-8-mercapto-1,9-dihydro-purin-6-one, 2-amino-8-thioxo-3,7-dihydropurin-6-one, 2-amino-8-sulfanyl-7h-purin-6-ol, 2-amino-8-sulfanyl-9h-purin-6-ol, 2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one PubChem CID: 2725005 IUPAC Name: 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one SMILES: C12=C(NC(=NC1=O)N)NC(=S)N2

Xanthosine dihydrate, 99%, ACROS Organics™

CAS: 5968-90-1 Molecular Formula: C10H12N4O6·2H2O Molecular Weight (g/mol): 320.26 InChI Key: AQQAMLPKPXTPOL-GWTDSMLYSA-N Synonym: xanthosine dihydrate, unii-1u62i480sp, 9-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-9h-purine-2,6-diol dihydrate, xanthosine, dihydrate, xanthosine dihydrate mi, xanthosine,dihydrate, 9-beta-d-ribofuranosyl xanthine dihydrate, 9-, a-d-ribofuranosylxanthine, xanthosine, dihydrate 8ci,9ci PubChem CID: 91886582 IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;hydrate SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O.O

Adenine, >98%, Affymetrix/USB™

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

3-Methyladenine, 90+%, ACROS Organics™

CAS: 5142-23-4 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00010531 InChI Key: FSASIHFSFGAIJM-UHFFFAOYSA-N Synonym: 3-methyladenine, 3-methyl-3h-purin-6-amine, 6-amino-3-methylpurine, 3-ma, 3h-purin-6-amine, 3-methyl, 3-methyl-3h-adenine, n3-methyladenine, adenine, 3-methyl, 3-methyl-3h-purin-6-ylamine, 3-methyladenine 3-ma PubChem CID: 1673 ChEBI: CHEBI:38635 IUPAC Name: 3-methylpurin-6-amine SMILES: CN1C=NC(=C2C1=NC=N2)N

Alfa Aesar™ Theophylline-7-acetic acid, 98%

CAS: 652-37-9 Molecular Formula: C9H10N4O4 Molecular Weight (g/mol): 238.203 MDL Number: MFCD00022832 InChI Key: HCYFGRCYSCXKNQ-UHFFFAOYSA-N Synonym: acefylline, theophylline-7-acetic acid, acephylline, theophyllineacetic acid, carboxymethyltheophylline, 7-carboxymethyl theophylline, 7-theophyllinylacetic acid, theophyllin-7-ylacetic acid, 7-theophyllinessigsaeure, 7-theophyllineacetic acid PubChem CID: 69550 IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O

7-(2,3-Dihydroxypropyl)theophylline, 99%, ACROS Organics™

CAS: 479-18-5 Molecular Formula: C10H14N4O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00005759 InChI Key: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonym: dyphylline, diprophylline, diphylline, 7-2,3-dihydroxypropyl theophylline, diprophyllin, glyphylline, neothylline, lufyllin, aristophyllin, diprofilline PubChem CID: 3182 ChEBI: CHEBI:4728 IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O

9-Methyladenine, 98%, ACROS Organics™

CAS: 700-00-5 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.17 MDL Number: MFCD00047232 InChI Key: WRXCXOUDSPTXNX-UHFFFAOYSA-N Synonym: 9-methyladenine, 9-methyl-9h-purin-6-amine, n9-methyladenine, 9-methyl-9h-adenine, 6-amino-9-methylpurine, 9h-purin-6-amine, 9-methyl, adenine, 9-methyl, 9-methyl-9h-purin-6-ylamine, ccris 6905, chembl65976 PubChem CID: 69689 ChEBI: CHEBI:40526 IUPAC Name: 9-methylpurin-6-amine SMILES: CN1C=NC2=C1N=CN=C2N

Alfa Aesar™ 7-(2-Chloroethyl)theophylline, 97%

CAS: 5878-61-5 Molecular Formula: C9H11ClN4O2 Molecular Weight (g/mol): 242.663 MDL Number: MFCD00005760 InChI Key: QCIARNIKNKKHFH-UHFFFAOYSA-N Synonym: 7-2-chloroethyl theophylline, benaphyllin, eupnophile, 7-chloroethyl theophylline, theophylline, 7-2-chloroethyl, beta-chloroethyltheophylline, unii-y7202un6b7, 7-beta-chlorethyl theophylline, 7-chloroethyltheophylline, 1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl PubChem CID: 1882 IUPAC Name: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl

3-Isobutyl-1-methylxanthine, 99+%, ACROS Organics™

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

2',3'-O-Isopropylideneadenosine, 98%, ACROS Organics™

CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.3 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-WOUKDFQISA-N Synonym: 2',3'-o-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'-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-o-isopropylideneadenosine, 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, 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, 3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol, pubchem14185 PubChem CID: 2723654 IUPAC Name: [(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 SMILES: CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4N)CO)C

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