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

Systemtic Name: dimethyl 5-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(3-pyridylmethylamino)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:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H18N6O6/c1-31-19(27)13-6-14(20(28)32-2)8-15(7-13)25-18-16(26(29)30)17(23-11-24-18)22-10-12-4-3-5-21-9-12/h3-9,11H,10H2,1-2H3,(H2,22,23,24,25)