2-[[4-(3-aminophenyl)phenyl]methyl]-9-(5-phenylpentan-2-yl)-3H-purin-6-one

Systemtic Name: 2-[[4-(3-aminophenyl)phenyl]methyl]-9-(5-phenylpentan-2-yl)-3H-purin-6-one Openeye Name: 2-[[4-(3-aminophenyl)phenyl]methyl]-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one CAS Name: 2-[[4-(3-aminophenyl)phenyl]methyl]-9-(5-phenylpentan-2-yl)-3H-purin-6-one IUPAC Name: 2-[[4-(3-aminophenyl)phenyl]methyl]-9-(5-phenylpentan-2-yl)-3H-purin-6-one Traditional Name: 2-[4-(3-aminophenyl)benzyl]-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one Formula: C29H29N5O MolecularWeight: 463.57346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC=C(C=C4)C5=CC(=CC=C5)N

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC=C(C=C4)C5=CC(=CC=C5)N

InChI

InChI=1S/C29H29N5O/c1-20(7-5-10-21-8-3-2-4-9-21)34-19-31-27-28(34)32-26(33-29(27)35)17-22-13-15-23(16-14-22)24-11-6-12-25(30)18-24/h2-4,6,8-9,11-16,18-20H,5,7,10,17,30H2,1H3,(H,32,33,35)