5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C24H25FN4O2S MolecularWeight: 452.544303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN4O2S/c1-17-21(23(31)27-24(26-17)32-16-18-5-3-2-4-6-18)15-22(30)29-13-11-28(12-14-29)20-9-7-19(25)8-10-20/h2-10H,11-16H2,1H3,(H,26,27,31)