3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[4-(trifluoromethyloxy)phenyl]methyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[4-(trifluoromethyloxy)phenyl]methyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)benzyl]propionamide Formula: C18H20F3N3O2S MolecularWeight: 399.43051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C18H20F3N3O2S/c1-11-15(12(2)24-17(23-11)27-3)8-9-16(25)22-10-13-4-6-14(7-5-13)26-18(19,20)21/h4-7H,8-10H2,1-3H3,(H,22,25)