3-(3-fluoranyl-4-methyl-phenyl)-2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-fluoro-4-methylphenyl)-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-fluoro-4-methylphenyl)-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-2-[(4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]quinazolin-4-one Formula: C25H20FN4O2S+ MolecularWeight: 459.515303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)C)F

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)C)F

InChI

InChI=1S/C25H19FN4O2S/c1-15-9-10-18(13-20(15)26)30-24(32)19-7-3-4-8-21(19)28-25(30)33-14-17-12-22(31)29-11-5-6-16(2)23(29)27-17/h3-13H,14H2,1-2H3/p+1