2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C12H14F3N3O2S MolecularWeight: 321.31867

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C12H14F3N3O2S/c13-12(14,15)8-6-9(19)17-11(16-8)21-7-10(20)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17,19)