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

Systemtic Name: 2-methylsulfanyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 2-methylsulfanyl-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 2-(methylthio)-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 2-methylsulfanyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [2-(methylthio)-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C21H15F3N4S MolecularWeight: 412.43081

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=CC=N4)C=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=CC=N4)C=C3

InChI

InChI=1S/C21H15F3N4S/c1-29-20-27-18(14-5-4-13-3-2-10-25-17(13)11-14)12-19(28-20)26-16-8-6-15(7-9-16)21(22,23)24/h2-12H,1H3,(H,26,27,28)