methyl 2-[methyl-[6-[(2-methylquinolin-5-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[6-[(2-methylquinolin-5-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-[(2-methyl-5-quinolinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-[(2-methylquinolin-5-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C23H20N6O4 MolecularWeight: 444.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)N(C)C4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)N(C)C4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H20N6O4/c1-14-11-12-15-17(26-14)8-6-9-18(15)27-21-20(29(31)32)22(25-13-24-21)28(2)19-10-5-4-7-16(19)23(30)33-3/h4-13H,1-3H3,(H,24,25,27)