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

Systemtic Name: 3-(3,3-diethoxypropyl)-2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,3-diethoxypropyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,3-diethoxypropyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,3-diethoxypropyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,3-diethoxypropyl)-2-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]quinazolin-4-one Formula: C24H27N4O4S+ MolecularWeight: 467.56058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=CC=CC=C4N3)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=CC=CC=C4N3)OCC

InChI

InChI=1S/C24H26N4O4S/c1-3-31-22(32-4-2)12-14-28-23(30)18-9-5-6-10-19(18)26-24(28)33-16-17-15-21(29)27-13-8-7-11-20(27)25-17/h5-11,13,15,22H,3-4,12,14,16H2,1-2H3/p+1