2-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[5-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]pentylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[5-[4-[3-(trifluoromethyl)phenyl]piperazino]pentylthio]-1H-pyrimidin-6-one Formula: C20H25F3N4OS MolecularWeight: 426.49891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCSC2=NC=CC(=O)N2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCCCSC2=NC=CC(=O)N2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H25F3N4OS/c21-20(22,23)16-5-4-6-17(15-16)27-12-10-26(11-13-27)9-2-1-3-14-29-19-24-8-7-18(28)25-19/h4-8,15H,1-3,9-14H2,(H,24,25,28)