2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C26H24FN5O2S MolecularWeight: 489.564463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H24FN5O2S/c1-18-6-11-23(28-16-18)32-25(34)21-4-2-3-5-22(21)29-26(32)35-17-24(33)31-14-12-30(13-15-31)20-9-7-19(27)8-10-20/h2-11,16H,12-15,17H2,1H3