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

Systemtic Name: methyl 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazine-1-carboxylate Openeye Name: methyl 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]-2-purinyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[6-[(2-methoxyphenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[9-(4-nitrobenzyl)-6-(o-anisylamino)purin-2-yl]piperazine-1-carboxylic acid methyl ester Formula: C26H28N8O5 MolecularWeight: 532.55112

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28N8O5/c1-38-21-6-4-3-5-19(21)15-27-23-22-24(30-25(29-23)31-11-13-32(14-12-31)26(35)39-2)33(17-28-22)16-18-7-9-20(10-8-18)34(36)37/h3-10,17H,11-16H2,1-2H3,(H,27,29,30)