6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-methylsulfanyl-6-[[4-(p-tolylmethyl)piperazin-1-yl]methyl]-1H-pyrimidin-4-one CAS Name: 6-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[4-(4-methylbenzyl)piperazino]methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=O)N=C(N3)SC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=O)N=C(N3)SC

InChI

InChI=1S/C18H24N4OS/c1-14-3-5-15(6-4-14)12-21-7-9-22(10-8-21)13-16-11-17(23)20-18(19-16)24-2/h3-6,11H,7-10,12-13H2,1-2H3,(H,19,20,23)