5-methoxy-2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 5-methoxy-2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 5-methoxy-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-methoxy-2-(3,4,4-trifluorobut-3-enylthio)-1H-pyrimidin-6-one IUPAC Name: 5-methoxy-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 5-methoxy-2-(3,4,4-trifluorobut-3-enylthio)-1H-pyrimidin-6-one Formula: C9H9F3N2O2S MolecularWeight: 266.24017

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(NC1=O)SCCC(=C(F)F)F

Isomeric SMILES

COC1=CN=C(NC1=O)SCCC(=C(F)F)F

InChI

InChI=1S/C9H9F3N2O2S/c1-16-6-4-13-9(14-8(6)15)17-3-2-5(10)7(11)12/h4H,2-3H2,1H3,(H,13,14,15)