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SMILES: c1(c(ncc(c1)Br)N)C=O Canonical SMILES: O=Cc1cc(Br)cnc1N InChI: InChI=1S/C6H5BrN2O/c7-5-1-4(3-10)6(8)9-2-5/h1-3H,(H2,8,9) InChIKey: KDOAJEVCIZYWDI-UHFFFAOYSA-N
CBID:43226 http://www.chembase.cn/molecule-43226.html