N4-(2,4-dimethoxyphenyl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,4-dimethoxyphenyl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,4-dimethoxyphenyl)-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,4-dimethoxyphenyl)-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,4-dimethoxyphenyl)-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(2-methyl-5-quinolyl)amine Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O4/c1-13-7-9-15-16(25-13)5-4-6-17(15)26-21-20(28(29)30)22(24-12-23-21)27-18-10-8-14(31-2)11-19(18)32-3/h4-12H,1-3H3,(H2,23,24,26,27)