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

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-hexyl-quinazolin-4-one Openeye Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-hexyl-quinazolin-4-one CAS Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-hexyl-4-quinazolinone IUPAC Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-hexylquinazolin-4-one Traditional Name: 2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-hexyl-quinazolin-4-one Formula: C23H24BrN4O2S+ MolecularWeight: 500.43126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C23H23BrN4O2S/c1-2-3-4-7-12-27-22(30)18-8-5-6-9-19(18)26-23(27)31-15-17-13-21(29)28-14-16(24)10-11-20(28)25-17/h5-6,8-11,13-14H,2-4,7,12,15H2,1H3/p+1