2-[8-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]octylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[8-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]octylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[8-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]octylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[8-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]octylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[8-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]octylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[8-[4-[3-(trifluoromethyl)phenyl]piperazino]octylthio]-1H-pyrimidin-6-one Formula: C23H31F3N4OS MolecularWeight: 468.57865

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCCCSC2=NC=CC(=O)N2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCCCCCCSC2=NC=CC(=O)N2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H31F3N4OS/c24-23(25,26)19-8-7-9-20(18-19)30-15-13-29(14-16-30)12-5-3-1-2-4-6-17-32-22-27-11-10-21(31)28-22/h7-11,18H,1-6,12-17H2,(H,27,28,31)