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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=CC=C5)C(=O)NC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=CC=C5)C(=O)NC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H31N9O3/c41-31(34-25-11-13-26(14-12-25)40(42)43)38-19-17-37(18-20-38)30-35-28(32-16-15-23-7-3-1-4-8-23)27-29(36-30)39(22-33-27)21-24-9-5-2-6-10-24/h1-14,22H,15-21H2,(H,34,41)(H,32,35,36)