5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[[4-(o-tolyl)piperazin-1-yl]methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[[4-(o-tolyl)piperazino]methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC3=CNC(=S)NC3=O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC3=CNC(=S)NC3=O

InChI

InChI=1S/C16H20N4OS/c1-12-4-2-3-5-14(12)20-8-6-19(7-9-20)11-13-10-17-16(22)18-15(13)21/h2-5,10H,6-9,11H2,1H3,(H2,17,18,21,22)