2-methylpropyl 4-[[6-[(2-methylquinolin-8-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[(2-methylquinolin-8-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(2-methyl-8-quinolinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-[(2-methylquinolin-8-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)OCC(C)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)OCC(C)C)C=C1

InChI

InChI=1S/C25H24N6O4/c1-15(2)13-35-25(32)18-9-11-19(12-10-18)29-23-22(31(33)34)24(27-14-26-23)30-20-6-4-5-17-8-7-16(3)28-21(17)20/h4-12,14-15H,13H2,1-3H3,(H2,26,27,29,30)