Imidazopyrimidines

Imidazopyrimidines
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Caffeine, 99%
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 SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
PubChem CID | 2519 |
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CAS | 58-08-2 |
Molecular Weight (g/mol) | 194.19 |
ChEBI | CHEBI:27732 |
MDL Number | MFCD00005758 |
SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
Molecular Formula | C8H10N4O2 |
Caffeine, 99.7%
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)C(=O)N2C
PubChem CID | 2519 |
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CAS | 58-08-2 |
Molecular Weight (g/mol) | 194.19 |
ChEBI | CHEBI:27732 |
MDL Number | MFCD00005758 |
SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
Molecular Formula | C8H10N4O2 |
Thermo Scientific Chemicals Adenine sulfate, 98+%
CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 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: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
PubChem CID | 9449 |
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CAS | 321-30-2 |
Molecular Weight (g/mol) | 368.33 |
MDL Number | MFCD00213655 |
SMILES | OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1 |
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 |
IUPAC Name | 7H-purin-6-amine;sulfuric acid |
InChI Key | LQXHSCOPYJCOMD-UHFFFAOYSA-N |
Molecular Formula | C10H12N10O4S |
Theophylline, Thermo Scientific Chemicals
CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 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
PubChem CID | 2153 |
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CAS | 58-55-9 |
Molecular Weight (g/mol) | 180.167 |
ChEBI | CHEBI:28177 |
MDL Number | MFCD00079619 |
SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
Synonym | theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur |
IUPAC Name | 1,3-dimethyl-7H-purine-2,6-dione |
InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
Molecular Formula | C7H8N4O2 |
Adenine Sulfate Dihydrate, >97%
CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: adenine sulfate,adenine hemisulfate,7 h-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: 7 H-purin-6-amine;sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
PubChem CID | 9449 |
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CAS | 321-30-2 |
Molecular Weight (g/mol) | 368.33 |
MDL Number | MFCD00213655 |
SMILES | OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1 |
Synonym | adenine sulfate,adenine hemisulfate,7 h-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 |
IUPAC Name | 7 H-purin-6-amine;sulfuric acid |
InChI Key | LQXHSCOPYJCOMD-UHFFFAOYSA-N |
Molecular Formula | C10H12N10O4S |
Doxofylline
CAS: 69975-86-6 Molecular Formula: C11H14N4O4 Molecular Weight (g/mol): 266.257 MDL Number: MFCD00865218 InChI Key: HWXIGFIVGWUZAO-UHFFFAOYSA-N Synonym: doxofylline,doxophylline,ansimar,dioxyfilline,maxivent,ventax,unii-mpm23gmo7z,doxofylline usan:inn,doxofilina inn-spanish,doxofyllinum inn-latin PubChem CID: 50942 IUPAC Name: 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3
PubChem CID | 50942 |
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CAS | 69975-86-6 |
Molecular Weight (g/mol) | 266.257 |
MDL Number | MFCD00865218 |
SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3 |
Synonym | doxofylline,doxophylline,ansimar,dioxyfilline,maxivent,ventax,unii-mpm23gmo7z,doxofylline usan:inn,doxofilina inn-spanish,doxofyllinum inn-latin |
IUPAC Name | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione |
InChI Key | HWXIGFIVGWUZAO-UHFFFAOYSA-N |
Molecular Formula | C11H14N4O4 |
CGS 21680 hydrochloride, 99%
CAS: 120225-54-9 Molecular Formula: C23H30ClN7O6 Molecular Weight (g/mol): 535.986 MDL Number: MFCD11045878 InChI Key: QPHVMNOEKKJYJO-XWOZMEDYSA-N Synonym: cgs-21680 hydrochloride hydrate,3-4-2-6-amino-9-2r,3r,4s,5s-5-ethylcarbamoyl-3,4-dihydroxyoxolan-2-yl purin-2-yl amino ethyl phenyl propanoic acid hydrate hydrochloride,c23h29n7o6.clh.h2o,cgs-21680 hydrochloride hydrate, solid,2-p-2-carboxyethyl phenethylamino-5 inverted exclamation marka-n-ethylcarboxamidoadenosine hydrochloride hydrate PubChem CID: 133639586 IUPAC Name: 3-[4-[2-[[6-amino-9-[(2S,4S,5R)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl
PubChem CID | 133639586 |
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CAS | 120225-54-9 |
Molecular Weight (g/mol) | 535.986 |
MDL Number | MFCD11045878 |
SMILES | CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl |
Synonym | cgs-21680 hydrochloride hydrate,3-4-2-6-amino-9-2r,3r,4s,5s-5-ethylcarbamoyl-3,4-dihydroxyoxolan-2-yl purin-2-yl amino ethyl phenyl propanoic acid hydrate hydrochloride,c23h29n7o6.clh.h2o,cgs-21680 hydrochloride hydrate, solid,2-p-2-carboxyethyl phenethylamino-5 inverted exclamation marka-n-ethylcarboxamidoadenosine hydrochloride hydrate |
IUPAC Name | 3-[4-[2-[[6-amino-9-[(2S,4S,5R)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride |
InChI Key | QPHVMNOEKKJYJO-XWOZMEDYSA-N |
Molecular Formula | C23H30ClN7O6 |
4,6-Dihydroxy-1H-pyrazolo[3,4-d]pyrimidine, 98+%
CAS: 2465-59-0 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.113 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
PubChem CID | 4644 |
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CAS | 2465-59-0 |
Molecular Weight (g/mol) | 152.113 |
ChEBI | CHEBI:28315 |
MDL Number | MFCD00056934 |
SMILES | C1=C2C(=NC(=O)NC2=O)NN1 |
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 |
IUPAC Name | 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione |
InChI Key | HXNFUBHNUDHIGC-UHFFFAOYSA-N |
Molecular Formula | C5H4N4O2 |
3-Methylxanthine, 98+%
CAS: 1076-22-8 Molecular Formula: C6H6N4O2 Molecular Weight (g/mol): 166.14 MDL Number: MFCD00005580 InChI Key: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonym: 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 PubChem CID: 70639 ChEBI: CHEBI:62207 IUPAC Name: 3-methyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)NC1=O)NC=N2
PubChem CID | 70639 |
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CAS | 1076-22-8 |
Molecular Weight (g/mol) | 166.14 |
ChEBI | CHEBI:62207 |
MDL Number | MFCD00005580 |
SMILES | CN1C2=C(C(=O)NC1=O)NC=N2 |
Synonym | 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 |
IUPAC Name | 3-methyl-7H-purine-2,6-dione |
InChI Key | GMSNIKWWOQHZGF-UHFFFAOYSA-N |
Molecular Formula | C6H6N4O2 |
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
PubChem CID | 1188 |
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CAS | 69-89-6 |
Molecular Weight (g/mol) | 152.113 |
ChEBI | CHEBI:17712 |
MDL Number | MFCD00078453 |
SMILES | C1=NC2=C(N1)C(=O)NC(=O)N2 |
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 |
IUPAC Name | 3,7-dihydropurine-2,6-dione |
InChI Key | LRFVTYWOQMYALW-UHFFFAOYSA-N |
Molecular Formula | C5H4N4O2 |
7-Methylxanthine, 98%
CAS: 552-62-5 Molecular Formula: C6H6N4O2 Molecular Weight (g/mol): 166.14 MDL Number: MFCD00037979 InChI Key: PFWLFWPASULGAN-UHFFFAOYSA-N Synonym: 7-methylxanthine,heteroxanthine,heteroxanthin,7-methylxanthin,7-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-7-methylpurine,xanthine, 7-methyl,3,7-dihydro-7-methyl-1h-purine-2,6-dione,7-methyl-3,7-dihydro-1h-purine-2,6-dione,1h-purine-2,6-dione, 3,7-dihydro-7-methyl PubChem CID: 68374 ChEBI: CHEBI:48991 SMILES: CN1C=NC2=C1C(=O)NC(=O)N2
PubChem CID | 68374 |
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CAS | 552-62-5 |
Molecular Weight (g/mol) | 166.14 |
ChEBI | CHEBI:48991 |
MDL Number | MFCD00037979 |
SMILES | CN1C=NC2=C1C(=O)NC(=O)N2 |
Synonym | 7-methylxanthine,heteroxanthine,heteroxanthin,7-methylxanthin,7-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-7-methylpurine,xanthine, 7-methyl,3,7-dihydro-7-methyl-1h-purine-2,6-dione,7-methyl-3,7-dihydro-1h-purine-2,6-dione,1h-purine-2,6-dione, 3,7-dihydro-7-methyl |
InChI Key | PFWLFWPASULGAN-UHFFFAOYSA-N |
Molecular Formula | C6H6N4O2 |
MilliporeSigma™ Adenine, ≥98%, Calbiochem™,
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: NC1=C2NC=NC2=NC=N1
PubChem CID | 190 |
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CAS | 73-24-5 |
Molecular Weight (g/mol) | 135.13 |
ChEBI | CHEBI:16708 |
MDL Number | MFCD00041790 |
SMILES | NC1=C2NC=NC2=NC=N1 |
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 |
IUPAC Name | 7H-purin-6-amine |
InChI Key | GFFGJBXGBJISGV-UHFFFAOYSA-N |
Molecular Formula | C5H5N5 |