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

Systemtic Name: 3-(2,5-dimethylphenyl)-2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,5-dimethylphenyl)-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2,5-dimethylphenyl)-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(2,5-dimethylphenyl)-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,5-dimethylphenyl)-2-[(4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]quinazolin-4-one Formula: C26H23N4O2S+ MolecularWeight: 455.55142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=CC=CC(=C5N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=CC=CC(=C5N4)C

InChI

InChI=1S/C26H22N4O2S/c1-16-10-11-17(2)22(13-16)30-25(32)20-8-4-5-9-21(20)28-26(30)33-15-19-14-23(31)29-12-6-7-18(3)24(29)27-19/h4-14H,15H2,1-3H3/p+1