6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[4-(4-fluorophenyl)piperazino]methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C16H19FN4OS MolecularWeight: 334.411663

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)CN2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC(=O)C=C(N1)CN2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H19FN4OS/c1-23-16-18-13(10-15(22)19-16)11-20-6-8-21(9-7-20)14-4-2-12(17)3-5-14/h2-5,10H,6-9,11H2,1H3,(H,18,19,22)