1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-octyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-octyl-purine-2,6-dione Openeye Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-octylpurine-2,6-dione IUPAC Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione Traditional Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-octyl-xanthine Formula: C24H35N5O2 MolecularWeight: 425.567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

InChI

InChI=1S/C24H35N5O2/c1-5-6-7-8-9-13-16-29-20(18-26(2)17-19-14-11-10-12-15-19)25-22-21(29)23(30)28(4)24(31)27(22)3/h10-12,14-15H,5-9,13,16-18H2,1-4H3