3-(3-fluoranyl-4-methyl-phenyl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-fluoro-4-methylphenyl)-2-[[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-fluoro-4-methylphenyl)-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-2-[[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thio]quinazolin-4-one Formula: C26H25FN5O2S+ MolecularWeight: 490.572403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)F

InChI

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