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

Systemtic Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 2-(4-methylpiperazin-1-yl)-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 6-[[(4-methylphenyl)thio]methyl]-2-(4-methyl-1-piperazinyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 2-(4-methylpiperazino)-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-13-3-5-15(6-4-13)23-12-14-11-16(22)19-17(18-14)21-9-7-20(2)8-10-21/h3-6,11H,7-10,12H2,1-2H3,(H,18,19,22)