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

Systemtic Name: 3-(3-methoxyphenyl)-2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C25H21N4O3S+ MolecularWeight: 457.52424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)OC

InChI

InChI=1S/C25H20N4O3S/c1-16-10-11-22-26-17(12-23(30)28(22)14-16)15-33-25-27-21-9-4-3-8-20(21)24(31)29(25)18-6-5-7-19(13-18)32-2/h3-14H,15H2,1-2H3/p+1