phenyl 4-[6-[(2-chlorophenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-[6-[(2-chlorophenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxylate Openeye Name: phenyl 4-[9-benzyl-6-[(2-chlorophenyl)methylamino]purin-2-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(2-chlorophenyl)methylamino]-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[9-benzyl-6-[(2-chlorophenyl)methylamino]purin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[9-benzyl-6-[(2-chlorobenzyl)amino]purin-2-yl]piperazine-1-carboxylic acid phenyl ester Formula: C30H28ClN7O2 MolecularWeight: 554.04202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=CC=C5)C(=O)OC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=CC=C5)C(=O)OC6=CC=CC=C6

InChI

InChI=1S/C30H28ClN7O2/c31-25-14-8-7-11-23(25)19-32-27-26-28(38(21-33-26)20-22-9-3-1-4-10-22)35-29(34-27)36-15-17-37(18-16-36)30(39)40-24-12-5-2-6-13-24/h1-14,21H,15-20H2,(H,32,34,35)