2-[7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]heptylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]heptylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]heptylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[7-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]heptylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]heptylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[7-[4-[3-(trifluoromethyl)phenyl]piperazino]heptylthio]-1H-pyrimidin-6-one Formula: C22H29F3N4OS MolecularWeight: 454.55207

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCCSC2=NC=CC(=O)N2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCCCCCSC2=NC=CC(=O)N2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H29F3N4OS/c23-22(24,25)18-7-6-8-19(17-18)29-14-12-28(13-15-29)11-4-2-1-3-5-16-31-21-26-10-9-20(30)27-21/h6-10,17H,1-5,11-16H2,(H,26,27,30)