2-(4-methylphenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one

Systemtic Name: 2-(4-methylphenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one Openeye Name: 9-(1-methyl-4-phenyl-butyl)-2-(p-tolyl)-3H-purin-6-one CAS Name: 2-(4-methylphenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one IUPAC Name: 2-(4-methylphenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one Traditional Name: 9-(1-methyl-4-phenyl-butyl)-2-(p-tolyl)-3H-purin-6-one Formula: C23H24N4O MolecularWeight: 372.46286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=O)C3=C(N2)N(C=N3)C(C)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=O)C3=C(N2)N(C=N3)C(C)CCCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O/c1-16-11-13-19(14-12-16)21-25-22-20(23(28)26-21)24-15-27(22)17(2)7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-15,17H,6-7,10H2,1-2H3,(H,25,26,28)