2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-6-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-6-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-1H-pyrimidin-4-one Formula: C22H22FN5O2S MolecularWeight: 439.505783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN5O2S/c23-17-6-4-16(5-7-17)15-31-22-25-18(13-20(29)26-22)14-21(30)28-11-9-27(10-12-28)19-3-1-2-8-24-19/h1-8,13H,9-12,14-15H2,(H,25,26,29)