1-[13,14-bis(oxidanyl)tetradecyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[13,14-bis(oxidanyl)tetradecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(13,14-dihydroxytetradecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(13,14-dihydroxytetradecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(13,14-dihydroxytetradecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(13,14-dihydroxytetradecyl)-3,7-dimethyl-xanthine Formula: C21H36N4O4 MolecularWeight: 408.53494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N4O4/c1-23-16-22-19-18(23)20(28)25(21(29)24(19)2)14-12-10-8-6-4-3-5-7-9-11-13-17(27)15-26/h16-17,26-27H,3-15H2,1-2H3