N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(2-methyl-5-quinolyl)amine Formula: C21H14ClF3N6O2 MolecularWeight: 474.82307

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClF3N6O2/c1-11-5-7-13-16(28-11)3-2-4-17(13)30-20-18(31(32)33)19(26-10-27-20)29-12-6-8-15(22)14(9-12)21(23,24)25/h2-10H,1H3,(H2,26,27,29,30)