4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]-2-purinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[9-(4-nitrobenzyl)-6-(o-anisylamino)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Formula: C31H31N9O4 MolecularWeight: 593.63574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N5CCN(CC5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N5CCN(CC5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C31H31N9O4/c1-44-26-10-6-5-7-23(26)19-32-28-27-29(39(21-33-27)20-22-11-13-25(14-12-22)40(42)43)36-30(35-28)37-15-17-38(18-16-37)31(41)34-24-8-3-2-4-9-24/h2-14,21H,15-20H2,1H3,(H,34,41)(H,32,35,36)