1-[16,17-bis(oxidanyl)heptadecyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[16,17-bis(oxidanyl)heptadecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(16,17-dihydroxyheptadecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(16,17-dihydroxyheptadecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(16,17-dihydroxyheptadecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(16,17-dihydroxyheptadecyl)-3,7-dimethyl-xanthine Formula: C24H42N4O4 MolecularWeight: 450.61468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42N4O4/c1-26-19-25-22-21(26)23(31)28(24(32)27(22)2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(30)18-29/h19-20,29-30H,3-18H2,1-2H3