1,3-dimethyl-7-(15-oxidanyloctadecyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(15-oxidanyloctadecyl)purine-2,6-dione Openeye Name: 7-(15-hydroxyoctadecyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(15-hydroxyoctadecyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(15-hydroxyoctadecyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(15-hydroxyoctadecyl)-1,3-dimethyl-xanthine Formula: C25H44N4O3 MolecularWeight: 448.64186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CCCC(CCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C25H44N4O3/c1-4-17-21(30)18-15-13-11-9-7-5-6-8-10-12-14-16-19-29-20-26-23-22(29)24(31)28(3)25(32)27(23)2/h20-21,30H,4-19H2,1-3H3