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

Systemtic Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 2-(4-phenylpiperazin-1-yl)-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 6-[[(4-methylphenyl)thio]methyl]-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 2-(4-phenylpiperazino)-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4OS/c1-17-7-9-20(10-8-17)28-16-18-15-21(27)24-22(23-18)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3,(H,23,24,27)