7-[(2-chlorophenyl)methyl]-2-(cyclopropylamino)-9-(3-methoxyphenyl)purin-8-one

Systemtic Name: 7-[(2-chlorophenyl)methyl]-2-(cyclopropylamino)-9-(3-methoxyphenyl)purin-8-one Openeye Name: 7-[(2-chlorophenyl)methyl]-2-(cyclopropylamino)-9-(3-methoxyphenyl)purin-8-one CAS Name: 7-[(2-chlorophenyl)methyl]-2-(cyclopropylamino)-9-(3-methoxyphenyl)-8-purinone IUPAC Name: 7-[(2-chlorophenyl)methyl]-2-(cyclopropylamino)-9-(3-methoxyphenyl)purin-8-one Traditional Name: 7-(2-chlorobenzyl)-2-(cyclopropylamino)-9-(3-methoxyphenyl)purin-8-one Formula: C22H20ClN5O2 MolecularWeight: 421.8795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)CC4=CC=CC=C4Cl)NC5CC5

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)CC4=CC=CC=C4Cl)NC5CC5

InChI

InChI=1S/C22H20ClN5O2/c1-30-17-7-4-6-16(11-17)28-20-19(12-24-21(26-20)25-15-9-10-15)27(22(28)29)13-14-5-2-3-8-18(14)23/h2-8,11-12,15H,9-10,13H2,1H3,(H,24,25,26)