2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C17H17F3N4O2S MolecularWeight: 398.40269

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C=C(N3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C=C(N3)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O2S/c18-17(19,20)13-10-14(25)22-16(21-13)27-11-15(26)24-8-6-23(7-9-24)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,21,22,25)