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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C=CNC2=S)C3=CC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C=CNC2=S)C3=CC=CC(=N3)C(F)(F)F

InChI

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