6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[4-(3-chlorophenyl)piperazino]methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C16H19ClN4OS MolecularWeight: 350.86626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4OS/c1-23-16-18-13(10-15(22)19-16)11-20-5-7-21(8-6-20)14-4-2-3-12(17)9-14/h2-4,9-10H,5-8,11H2,1H3,(H,18,19,22)