3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCC3=C2C=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCC3=C2C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3OS/c1-12-16(13(2)25-19(24-12)28-3)7-9-18(27)26-10-4-5-14-11-15(20(21,22)23)6-8-17(14)26/h6,8,11H,4-5,7,9-10H2,1-3H3