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SMILES: o1c(nnc1N)c1ccc(cc1)Br Canonical SMILES: Brc1ccc(cc1)c1nnc(o1)N InChI: InChI=1S/C8H6BrN3O/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12) InChIKey: UNSGGKLETSYTPE-UHFFFAOYSA-N
CBID:116213 http://www.chembase.cn/molecule-116213.html