2-[(4-methoxyphenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-(p-anisylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C13H11F3N2O2S MolecularWeight: 316.29885

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

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