2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-5,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]-5,6-dimethyl-1H-pyrimidin-4-one Formula: C18H21FN4O2S MolecularWeight: 376.448343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H21FN4O2S/c1-12-13(2)20-18(21-17(12)25)26-11-16(24)23-9-7-22(8-10-23)15-5-3-14(19)4-6-15/h3-6H,7-11H2,1-2H3,(H,20,21,25)