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

Systemtic Name: N-cyclohexyl-4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazine-1-carboxamide Openeye Name: N-cyclohexyl-4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazine-1-carboxamide CAS Name: N-cyclohexyl-4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]-2-purinyl]-1-piperazinecarboxamide IUPAC Name: N-cyclohexyl-4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazine-1-carboxamide Traditional Name: N-cyclohexyl-4-[9-(4-nitrobenzyl)-6-(o-anisylamino)purin-2-yl]piperazine-1-carboxamide Formula: C31H37N9O4 MolecularWeight: 599.68338

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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)NC6CCCCC6

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N5CCN(CC5)C(=O)NC6CCCCC6

InChI

InChI=1S/C31H37N9O4/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/h5-7,10-14,21,24H,2-4,8-9,15-20H2,1H3,(H,34,41)(H,32,35,36)