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

Systemtic Name: dimethyl 5-[[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[(3-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-[(3-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H18N6O6 MolecularWeight: 438.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H18N6O6/c1-11-5-4-6-21-16(11)25-18-15(26(29)30)17(22-10-23-18)24-14-8-12(19(27)31-2)7-13(9-14)20(28)32-3/h4-10H,1-3H3,(H2,21,22,23,24,25)