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

Systemtic Name: dimethyl 5-[[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-(2-pyridylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-(2-pyridinylamino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(2-pyridylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H16N6O6 MolecularWeight: 424.36694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=CC=CC=N3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=CC=CC=N3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H16N6O6/c1-30-18(26)11-7-12(19(27)31-2)9-13(8-11)23-16-15(25(28)29)17(22-10-21-16)24-14-5-3-4-6-20-14/h3-10H,1-2H3,(H2,20,21,22,23,24)