N-(3-methylphenyl)-4-[6-[(4-methylphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-[6-[(4-methylphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(p-tolylmethylamino)purin-2-yl]-N-(m-tolyl)piperazine-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[6-[(4-methylphenyl)methylamino]-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-[(4-methylphenyl)methylamino]purin-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-[(4-methylbenzyl)amino]purin-2-yl]-N-(m-tolyl)piperazine-1-carboxamide Formula: C32H34N8O MolecularWeight: 546.66536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)NC6=CC=CC(=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)NC6=CC=CC(=C6)C

InChI

InChI=1S/C32H34N8O/c1-23-11-13-25(14-12-23)20-33-29-28-30(40(22-34-28)21-26-8-4-3-5-9-26)37-31(36-29)38-15-17-39(18-16-38)32(41)35-27-10-6-7-24(2)19-27/h3-14,19,22H,15-18,20-21H2,1-2H3,(H,35,41)(H,33,36,37)