7-bromanyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-bromanyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-bromo-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-bromo-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C14H10BrN3O2S MolecularWeight: 364.2171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=CC(=O)N3C=C(C=CC3=N2)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=CC(=O)N3C=C(C=CC3=N2)Br)[O-]

InChI

InChI=1S/C14H10BrN3O2S/c15-10-4-5-12-16-11(7-13(19)17(12)8-10)9-21-14-3-1-2-6-18(14)20/h1-8H,9H2