dimethyl 5-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H23N7O6 MolecularWeight: 493.47202

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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)C4=CC=CC=N4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)C(=O)OC

InChI

InChI=1S/C23H23N7O6/c1-35-22(31)15-11-16(23(32)36-2)13-17(12-15)27-20-19(30(33)34)21(26-14-25-20)29-9-7-28(8-10-29)18-5-3-4-6-24-18/h3-6,11-14H,7-10H2,1-2H3,(H,25,26,27)