6-bromanyl-2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-pentyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-pentyl-quinazolin-4-one Openeye Name: 6-bromo-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-pentyl-quinazolin-4-one CAS Name: 6-bromo-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-pentyl-4-quinazolinone IUPAC Name: 6-bromo-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-pentylquinazolin-4-one Traditional Name: 3-amyl-6-bromo-2-[(4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]quinazolin-4-one Formula: C23H24BrN4O2S+ MolecularWeight: 500.43126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)[N+]4=CC=CC(=C4N3)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)[N+]4=CC=CC(=C4N3)C

InChI

InChI=1S/C23H23BrN4O2S/c1-3-4-5-10-28-22(30)18-12-16(24)8-9-19(18)26-23(28)31-14-17-13-20(29)27-11-6-7-15(2)21(27)25-17/h6-9,11-13H,3-5,10,14H2,1-2H3/p+1