N4-(2-methylquinolin-8-yl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylquinolin-8-yl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-8-quinolyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(2-methyl-8-quinolinyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylquinolin-8-yl)-5-nitro-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: (2-methyl-8-quinolyl)-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C21H15F3N6O2 MolecularWeight: 440.37801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15F3N6O2/c1-12-8-9-13-4-2-7-16(17(13)27-12)29-20-18(30(31)32)19(25-11-26-20)28-15-6-3-5-14(10-15)21(22,23)24/h2-11H,1H3,(H2,25,26,28,29)