9-[3-(hydroxymethyl)-4,5-bis(oxidanyl)cyclopent-2-en-1-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[3-(hydroxymethyl)-4,5-bis(oxidanyl)cyclopent-2-en-1-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[4,5-dihydroxy-3-(hydroxymethyl)-1-cyclopent-2-enyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-(4,5-dihydroxy-3-methylol-cyclopent-2-en-1-yl)-1,3-dimethyl-xanthine Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3C=C(C(C3O)O)CO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3C=C(C(C3O)O)CO

InChI

InChI=1S/C13H16N4O5/c1-15-11-8(12(21)16(2)13(15)22)14-5-17(11)7-3-6(4-18)9(19)10(7)20/h3,5,7,9-10,18-20H,4H2,1-2H3