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

Systemtic Name: dimethyl 5-[[6-[(5-bromanylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[(5-bromo-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-[(5-bromopyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H15BrN6O6 MolecularWeight: 503.263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H15BrN6O6/c1-31-18(27)10-5-11(19(28)32-2)7-13(6-10)24-16-15(26(29)30)17(23-9-22-16)25-14-4-3-12(20)8-21-14/h3-9H,1-2H3,(H2,21,22,23,24,25)