1-[12,13-bis(oxidanyl)tridecyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[12,13-bis(oxidanyl)tridecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(12,13-dihydroxytridecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(12,13-dihydroxytridecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(12,13-dihydroxytridecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(12,13-dihydroxytridecyl)-3,7-dimethyl-xanthine Formula: C20H34N4O4 MolecularWeight: 394.50836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N4O4/c1-22-15-21-18-17(22)19(27)24(20(28)23(18)2)13-11-9-7-5-3-4-6-8-10-12-16(26)14-25/h15-16,25-26H,3-14H2,1-2H3