2-[[6-azanyl-4-oxidanylidene-5-[[4-(trifluoromethyl)phenyl]carbonylamino]-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[6-azanyl-4-oxidanylidene-5-[[4-(trifluoromethyl)phenyl]carbonylamino]-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[6-amino-4-oxo-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-4-oxo-5-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-1H-pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[6-amino-4-oxo-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-4-keto-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-pyrimidin-2-yl]thio]acetate Formula: C14H10F3N4O4S- MolecularWeight: 387.31381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCC(=O)[O-])N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCC(=O)[O-])N)C(F)(F)F

InChI

InChI=1S/C14H11F3N4O4S/c15-14(16,17)7-3-1-6(2-4-7)11(24)19-9-10(18)20-13(21-12(9)25)26-5-8(22)23/h1-4H,5H2,(H,19,24)(H,22,23)(H3,18,20,21,25)/p-1