1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-(quinazolin-4-ylthio)ethanone Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43)F

InChI

InChI=1S/C22H21FN4O2S/c1-15(28)16-6-7-20(18(23)12-16)26-8-10-27(11-9-26)21(29)13-30-22-17-4-2-3-5-19(17)24-14-25-22/h2-7,12,14H,8-11,13H2,1H3