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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-[(8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-[(8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-[(8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-[(8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[(4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]quinazolin-4-one Formula: C26H23N4O4S+ MolecularWeight: 487.55022

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O4S/c1-16-10-11-29-23(12-16)27-17(13-24(29)31)15-35-26-28-20-7-5-4-6-19(20)25(32)30(26)18-8-9-21(33-2)22(14-18)34-3/h4-14H,15H2,1-3H3/p+1