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

Systemtic Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-(p-tolylsulfanylmethyl)-2-[4-(2-pyridyl)piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 6-[[(4-methylphenyl)thio]methyl]-2-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[(p-tolylthio)methyl]-2-[4-(2-pyridyl)piperazino]-1H-pyrimidin-4-one Formula: C21H23N5OS MolecularWeight: 393.50522

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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=N4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N5OS/c1-16-5-7-18(8-6-16)28-15-17-14-20(27)24-21(23-17)26-12-10-25(11-13-26)19-4-2-3-9-22-19/h2-9,14H,10-13,15H2,1H3,(H,23,24,27)