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

Systemtic Name: 6-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[4-(4-fluorobenzyl)piperazino]methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C17H21FN4OS MolecularWeight: 348.438243

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)CN2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC(=O)C=C(N1)CN2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN4OS/c1-24-17-19-15(10-16(23)20-17)12-22-8-6-21(7-9-22)11-13-2-4-14(18)5-3-13/h2-5,10H,6-9,11-12H2,1H3,(H,19,20,23)