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

Systemtic Name: 3-(7-methyloctyl)-2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(7-methyloctyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(7-methyloctyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(7-methyloctyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-(7-methyloctyl)quinazolin-4-one Formula: C26H31N4O2S+ MolecularWeight: 463.61494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C26H30N4O2S/c1-19(2)11-5-3-4-9-16-30-25(32)21-12-6-7-13-22(21)28-26(30)33-18-20-17-24(31)29-15-10-8-14-23(29)27-20/h6-8,10,12-15,17,19H,3-5,9,11,16,18H2,1-2H3/p+1