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

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C17H19FN4O2S MolecularWeight: 362.421763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN4O2S/c1-12-10-15(23)20-17(19-12)25-11-16(24)22-8-6-21(7-9-22)14-4-2-13(18)3-5-14/h2-5,10H,6-9,11H2,1H3,(H,19,20,23)