3-(3,4-dimethylphenyl)-2-[(8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)-2-[(8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-2-[(8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-[(8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethylphenyl)-2-[(8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,4-dimethylphenyl)-2-[(4-keto-8-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=CC2=[N+](C=C1)C(=O)C=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)C)C

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)C)C

InChI

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