5-nitro-N4-quinolin-8-yl-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-quinolin-8-yl-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(8-quinolyl)-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(8-quinolinyl)-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-quinolin-8-yl-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C20H13F3N6O3 MolecularWeight: 442.35083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC(F)(F)F)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC(F)(F)F)N=CC=C2

InChI

InChI=1S/C20H13F3N6O3/c21-20(22,23)32-14-8-6-13(7-9-14)27-18-17(29(30)31)19(26-11-25-18)28-15-5-1-3-12-4-2-10-24-16(12)15/h1-11H,(H2,25,26,27,28)