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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2)CC)O

Isomeric SMILES

CCCC(CCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2)CC)O

InChI

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