6-(5-nitroquinolin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 6-(5-nitroquinolin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(5-nitro-7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-(5-nitro-7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(5-nitroquinolin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(5-nitro-7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C20H12F3N5O2 MolecularWeight: 411.33679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2[N+](=O)[O-])C3=CC(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)N=C1

Isomeric SMILES

C1=CC2=C(C=C(C=C2[N+](=O)[O-])C3=CC(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)N=C1

InChI

InChI=1S/C20H12F3N5O2/c21-20(22,23)13-3-5-14(6-4-13)27-19-10-16(25-11-26-19)12-8-17-15(2-1-7-24-17)18(9-12)28(29)30/h1-11H,(H,25,26,27)