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

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]-6-phenyl-1H-pyrimidin-4-one Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21FN4O2S/c23-17-6-8-18(9-7-17)26-10-12-27(13-11-26)21(29)15-30-22-24-19(14-20(28)25-22)16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,24,25,28)