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

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-isopentyl-quinazolin-4-one CAS Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-isoamyl-quinazolin-4-one Formula: C22H22BrN4O2S+ MolecularWeight: 486.40468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C22H21BrN4O2S/c1-14(2)9-10-26-21(29)17-5-3-4-6-18(17)25-22(26)30-13-16-11-20(28)27-12-15(23)7-8-19(27)24-16/h3-8,11-12,14H,9-10,13H2,1-2H3/p+1