5,6-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-4-one Formula: C14H13F3N2OS MolecularWeight: 314.32603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C14H13F3N2OS/c1-8-9(2)18-13(19-12(8)20)21-7-10-3-5-11(6-4-10)14(15,16)17/h3-6H,7H2,1-2H3,(H,18,19,20)