N-[2-fluoranyl-4-(trifluoromethyl)phenyl]-5-methoxy-6-quinolin-7-yl-pyrimidin-4-amine

Systemtic Name: N-[2-fluoranyl-4-(trifluoromethyl)phenyl]-5-methoxy-6-quinolin-7-yl-pyrimidin-4-amine Openeye Name: N-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methoxy-6-(7-quinolyl)pyrimidin-4-amine CAS Name: N-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methoxy-6-(7-quinolinyl)-4-pyrimidinamine IUPAC Name: N-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methoxy-6-quinolin-7-ylpyrimidin-4-amine Traditional Name: [2-fluoro-4-(trifluoromethyl)phenyl]-[5-methoxy-6-(7-quinolyl)pyrimidin-4-yl]amine Formula: C21H14F4N4O MolecularWeight: 414.355673

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CN=C1NC2=C(C=C(C=C2)C(F)(F)F)F)C3=CC4=C(C=CC=N4)C=C3

Isomeric SMILES

COC1=C(N=CN=C1NC2=C(C=C(C=C2)C(F)(F)F)F)C3=CC4=C(C=CC=N4)C=C3

InChI

InChI=1S/C21H14F4N4O/c1-30-19-18(13-5-4-12-3-2-8-26-17(12)9-13)27-11-28-20(19)29-16-7-6-14(10-15(16)22)21(23,24)25/h2-11H,1H3,(H,27,28,29)