N4-(2,5-dimethylphenyl)-N6-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethylphenyl)-N6-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethylphenyl)-N6-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethylphenyl)-N6-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethylphenyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=C(C=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=C(C=C4)C

InChI

InChI=1S/C22H20N6O2/c1-13-7-8-14(2)18(11-13)27-22-20(28(29)30)21(23-12-24-22)26-17-6-4-5-16-10-9-15(3)25-19(16)17/h4-12H,1-3H3,(H2,23,24,26,27)