dimethyl 5-[[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C31H30N6O6 MolecularWeight: 582.6065

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C31H30N6O6/c1-42-30(38)23-17-24(31(39)43-2)19-25(18-23)34-28-27(37(40)41)29(33-20-32-28)36-15-13-35(14-16-36)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17-20,26H,13-16H2,1-2H3,(H,32,33,34)