ethyl 4-[2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H17F3N4O4S MolecularWeight: 394.36939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C14H17F3N4O4S/c1-2-25-13(24)21-5-3-20(4-6-21)11(23)8-26-12-18-9(14(15,16)17)7-10(22)19-12/h7H,2-6,8H2,1H3,(H,18,19,22)