1-[9,10-bis(oxidanyl)octadecyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[9,10-bis(oxidanyl)octadecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(9,10-dihydroxyoctadecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(9,10-dihydroxyoctadecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(9,10-dihydroxyoctadecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(9,10-dihydroxyoctadecyl)-3,7-dimethyl-xanthine Formula: C25H44N4O4 MolecularWeight: 464.64126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)O

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)O

InChI

InChI=1S/C25H44N4O4/c1-4-5-6-7-10-13-16-20(30)21(31)17-14-11-8-9-12-15-18-29-24(32)22-23(26-19-27(22)2)28(3)25(29)33/h19-21,30-31H,4-18H2,1-3H3