1-[6,7-bis(oxidanyl)heptyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[6,7-bis(oxidanyl)heptyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(6,7-dihydroxyheptyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(6,7-dihydroxyheptyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(6,7-dihydroxyheptyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(6,7-dihydroxyheptyl)-3,7-dimethyl-xanthine Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCC(CO)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCC(CO)O

InChI

InChI=1S/C14H22N4O4/c1-16-9-15-12-11(16)13(21)18(14(22)17(12)2)7-5-3-4-6-10(20)8-19/h9-10,19-20H,3-8H2,1-2H3