3-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: 3-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: 3-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 3-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]propanoate IUPAC Name: 3-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 3-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]propionate Formula: C8H6F3N2O3S- MolecularWeight: 267.20505

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=NC1=O)SCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(NC(=NC1=O)SCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C8H7F3N2O3S/c9-8(10,11)4-3-5(14)13-7(12-4)17-2-1-6(15)16/h3H,1-2H2,(H,15,16)(H,12,13,14)/p-1