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

Systemtic Name: 4-[6-[(4-methylphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(p-tolylmethylamino)purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[6-[(4-methylphenyl)methylamino]-9-(phenylmethyl)-2-purinyl]-N-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-[(4-methylphenyl)methylamino]purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-[(4-methylbenzyl)amino]purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C31H31N9O3 MolecularWeight: 577.63634

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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=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)NC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H31N9O3/c1-22-7-9-23(10-8-22)19-32-28-27-29(39(21-33-27)20-24-5-3-2-4-6-24)36-30(35-28)37-15-17-38(18-16-37)31(41)34-25-11-13-26(14-12-25)40(42)43/h2-14,21H,15-20H2,1H3,(H,34,41)(H,32,35,36)