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

Systemtic Name: 5-ethyl-6-methyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-[[4-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-6-methyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-ethyl-6-methyl-2-[[4-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-4-one Formula: C15H15F3N2OS MolecularWeight: 328.35261

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C15H15F3N2OS/c1-3-12-9(2)19-14(20-13(12)21)22-8-10-4-6-11(7-5-10)15(16,17)18/h4-7H,3,8H2,1-2H3,(H,19,20,21)