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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(F)(F)F

InChI

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