2-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 6-isopropyl-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 2-[[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]thio]-6-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 6-isopropyl-2-[[2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl]thio]-1H-pyrimidin-4-one Formula: C20H23F3N4O2S MolecularWeight: 440.48243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N4O2S/c1-13(2)16-11-17(28)25-19(24-16)30-12-18(29)27-8-6-26(7-9-27)15-5-3-4-14(10-15)20(21,22)23/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25,28)