2-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]hexylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[6-[4-[3-(trifluoromethyl)phenyl]piperazino]hexylthio]-1H-pyrimidin-6-one Formula: C21H27F3N4OS MolecularWeight: 440.52549

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCSC2=NC=CC(=O)N2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCCCCSC2=NC=CC(=O)N2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H27F3N4OS/c22-21(23,24)17-6-5-7-18(16-17)28-13-11-27(12-14-28)10-3-1-2-4-15-30-20-25-9-8-19(29)26-20/h5-9,16H,1-4,10-15H2,(H,25,26,29)