6-fluoranyl-3-[2-oxidanylidene-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 6-fluoranyl-3-[2-oxidanylidene-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethyl]quinazolin-4-one Openeye Name: 6-fluoro-3-[2-oxo-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethyl]quinazolin-4-one CAS Name: 6-fluoro-3-[2-oxo-2-[4-[2-(phenylthio)ethyl]-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 6-fluoro-3-[2-oxo-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethyl]quinazolin-4-one Traditional Name: 6-fluoro-3-[2-keto-2-[4-[2-(phenylthio)ethyl]piperazino]ethyl]quinazolin-4-one Formula: C22H23FN4O2S MolecularWeight: 426.507023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C22H23FN4O2S/c23-17-6-7-20-19(14-17)22(29)27(16-24-20)15-21(28)26-10-8-25(9-11-26)12-13-30-18-4-2-1-3-5-18/h1-7,14,16H,8-13,15H2