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

Systemtic Name: 2-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-[6-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-[6-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-[6-(trifluoromethyl)-2-pyridyl]piperazino]propylthio]-1H-pyrimidin-6-one Formula: C17H20F3N5OS MolecularWeight: 399.43381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC=CC(=O)N2)C3=CC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCSC2=NC=CC(=O)N2)C3=CC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H20F3N5OS/c18-17(19,20)13-3-1-4-14(22-13)25-10-8-24(9-11-25)7-2-12-27-16-21-6-5-15(26)23-16/h1,3-6H,2,7-12H2,(H,21,23,26)