6,8-bis(bromanyl)-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,8-bis(bromanyl)-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,8-dibromo-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,8-dibromo-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,8-dibromo-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,8-dibromo-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C14H9Br2N3O2S MolecularWeight: 443.11316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)[O-]

InChI

InChI=1S/C14H9Br2N3O2S/c15-8-5-9-13(10(16)6-8)17-11(18-14(9)20)7-22-12-3-1-2-4-19(12)21/h1-6H,7H2,(H,17,18,20)