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

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]quinazolin-4-one Formula: C20H16BrN4O2S+ MolecularWeight: 456.33564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O2S/c1-2-9-24-19(27)15-5-3-4-6-16(15)23-20(24)28-12-14-10-18(26)25-11-13(21)7-8-17(25)22-14/h2-8,10-11H,1,9,12H2/p+1