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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-6-[[(4-methylphenyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C22H23FN4OS MolecularWeight: 410.507623

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4OS/c1-16-2-8-20(9-3-16)29-15-18-14-21(28)25-22(24-18)27-12-10-26(11-13-27)19-6-4-17(23)5-7-19/h2-9,14H,10-13,15H2,1H3,(H,24,25,28)