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

Systemtic Name: dimethyl 5-[[6-[(2-methylquinolin-5-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[(2-methyl-5-quinolinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-[(2-methylquinolin-5-yl)amino]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H20N6O6 MolecularWeight: 488.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H20N6O6/c1-13-7-8-17-18(27-13)5-4-6-19(17)29-22-20(30(33)34)21(25-12-26-22)28-16-10-14(23(31)35-2)9-15(11-16)24(32)36-3/h4-12H,1-3H3,(H2,25,26,28,29)