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

Systemtic Name: 4-[6-[(2-chlorophenyl)methylamino]-9-(phenylmethyl)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-[(2-chlorophenyl)methylamino]purin-2-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[6-[(2-chlorophenyl)methylamino]-9-(phenylmethyl)-2-purinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-[(2-chlorophenyl)methylamino]purin-2-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-[(2-chlorobenzyl)amino]purin-2-yl]-N-phenyl-piperazine-1-carboxamide Formula: C30H29ClN8O MolecularWeight: 553.05726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=CC=C5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=CC=C5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C30H29ClN8O/c31-25-14-8-7-11-23(25)19-32-27-26-28(39(21-33-26)20-22-9-3-1-4-10-22)36-29(35-27)37-15-17-38(18-16-37)30(40)34-24-12-5-2-6-13-24/h1-14,21H,15-20H2,(H,34,40)(H,32,35,36)