6-(2-methylquinolin-8-yl)oxy-5-nitro-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine

Systemtic Name: 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine Openeye Name: 6-[(2-methyl-8-quinolyl)oxy]-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine CAS Name: 6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-N-[4-(trifluoromethoxy)phenyl]-4-pyrimidinamine IUPAC Name: 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine Traditional Name: [6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C21H14F3N5O4 MolecularWeight: 457.36217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC(F)(F)F)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC(F)(F)F)C=C1

InChI

InChI=1S/C21H14F3N5O4/c1-12-5-6-13-3-2-4-16(17(13)27-12)32-20-18(29(30)31)19(25-11-26-20)28-14-7-9-15(10-8-14)33-21(22,23)24/h2-11H,1H3,(H,25,26,28)