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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-6-[2-keto-2-(4-phenylpiperazino)ethyl]-1H-pyrimidin-4-one Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O2S/c24-18-8-6-17(7-9-18)16-31-23-25-19(14-21(29)26-23)15-22(30)28-12-10-27(11-13-28)20-4-2-1-3-5-20/h1-9,14H,10-13,15-16H2,(H,25,26,29)