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

Systemtic Name: 2-(4-bromophenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one Openeye Name: 2-(4-bromophenyl)-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one CAS Name: 2-(4-bromophenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one IUPAC Name: 2-(4-bromophenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one Traditional Name: 2-(4-bromophenyl)-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one Formula: C22H21BrN4O MolecularWeight: 437.33234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4O/c1-15(6-5-9-16-7-3-2-4-8-16)27-14-24-19-21(27)25-20(26-22(19)28)17-10-12-18(23)13-11-17/h2-4,7-8,10-15H,5-6,9H2,1H3,(H,25,26,28)