7-bromanyl-2-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[(2-pyrimidinylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[(2-pyrimidylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C13H10BrN4OS+ MolecularWeight: 350.2137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C13H9BrN4OS/c14-9-2-3-11-17-10(6-12(19)18(11)7-9)8-20-13-15-4-1-5-16-13/h1-7H,8H2/p+1