6-[(4-methylphenyl)sulfanylmethyl]-2-[4-(phenylcarbonyl)piperazin-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-[4-(phenylcarbonyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzoylpiperazin-1-yl)-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(4-benzoyl-1-piperazinyl)-6-[[(4-methylphenyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-benzoylpiperazino)-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c1-17-7-9-20(10-8-17)30-16-19-15-21(28)25-23(24-19)27-13-11-26(12-14-27)22(29)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,24,25,28)