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

Systemtic Name: 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]-2-purinyl]-N-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-[9-(4-nitrobenzyl)-6-(o-anisylamino)purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C31H30N10O6 MolecularWeight: 638.6333

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N10O6/c1-47-26-5-3-2-4-22(26)18-32-28-27-29(39(20-33-27)19-21-6-10-24(11-7-21)40(43)44)36-30(35-28)37-14-16-38(17-15-37)31(42)34-23-8-12-25(13-9-23)41(45)46/h2-13,20H,14-19H2,1H3,(H,34,42)(H,32,35,36)