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

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C21H14ClF3N6O2 MolecularWeight: 474.82307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=C(C=CC(=C4)C(F)(F)F)Cl)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=C(C=CC(=C4)C(F)(F)F)Cl)[N+](=O)[O-])C=C1

InChI

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