N6-(3,4-dichlorophenyl)-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3,4-dichlorophenyl)-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3,4-dichlorophenyl)-N4-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3,4-dichlorophenyl)-N4-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3,4-dichlorophenyl)-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]-(2-methyl-5-quinolyl)amine Formula: C20H14Cl2N6O2 MolecularWeight: 441.27016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H14Cl2N6O2/c1-11-5-7-13-16(25-11)3-2-4-17(13)27-20-18(28(29)30)19(23-10-24-20)26-12-6-8-14(21)15(22)9-12/h2-10H,1H3,(H2,23,24,26,27)