5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-6-one IUPAC Name: 5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-methoxy-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-6-one Formula: C13H11F3N2O2S MolecularWeight: 316.29885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(NC1=O)SCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

COC1=CN=C(NC1=O)SCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O2S/c1-20-10-6-17-12(18-11(10)19)21-7-8-3-2-4-9(5-8)13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)