3-(4-ethylphenyl)-2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-ethylphenyl)-2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-ethylphenyl)-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-ethylphenyl)-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-ethylphenyl)-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-ethylphenyl)-2-[(4-keto-7-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:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)C

InChI

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