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

Systemtic Name: 1-[1,12-bis(oxidanyl)dodecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(1,12-dihydroxydodecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(1,12-dihydroxydodecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(1,12-dihydroxydodecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(1,12-dihydroxydodecyl)-3,7-dimethyl-xanthine Formula: C19H32N4O4 MolecularWeight: 380.48178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCCCCCCO)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCCCCCCO)O

InChI

InChI=1S/C19H32N4O4/c1-21-14-20-17-16(21)18(26)23(19(27)22(17)2)15(25)12-10-8-6-4-3-5-7-9-11-13-24/h14-15,24-25H,3-13H2,1-2H3