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

Systemtic Name: 5-nitro-N4-quinolin-5-yl-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(5-quinolyl)-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(5-quinolinyl)-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-quinolin-5-yl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C20H13F3N6O2 MolecularWeight: 426.35143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H13F3N6O2/c21-20(22,23)12-4-1-5-13(10-12)27-18-17(29(30)31)19(26-11-25-18)28-16-8-2-7-15-14(16)6-3-9-24-15/h1-11H,(H2,25,26,27,28)