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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=CC=CC(=C5N4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=CC=CC(=C5N4)C

InChI

InChI=1S/C26H22N4O2S/c1-17-9-11-19(12-10-17)15-30-25(32)21-7-3-4-8-22(21)28-26(30)33-16-20-14-23(31)29-13-5-6-18(2)24(29)27-20/h3-14H,15-16H2,1-2H3/p+1