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

Systemtic Name: N-[2-fluoranyl-4-(trifluoromethyl)phenyl]-5-methyl-6-quinolin-7-yl-pyrimidin-4-amine Openeye Name: N-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6-(7-quinolyl)pyrimidin-4-amine CAS Name: N-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6-(7-quinolinyl)-4-pyrimidinamine IUPAC Name: N-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6-quinolin-7-ylpyrimidin-4-amine Traditional Name: [2-fluoro-4-(trifluoromethyl)phenyl]-[5-methyl-6-(7-quinolyl)pyrimidin-4-yl]amine Formula: C21H14F4N4 MolecularWeight: 398.356273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1NC2=C(C=C(C=C2)C(F)(F)F)F)C3=CC4=C(C=CC=N4)C=C3

Isomeric SMILES

CC1=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/C21H14F4N4/c1-12-19(14-5-4-13-3-2-8-26-18(13)9-14)27-11-28-20(12)29-17-7-6-15(10-16(17)22)21(23,24)25/h2-11H,1H3,(H,27,28,29)