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SMILES: o1c(nnc1N)c1cc(Br)ccc1 Canonical SMILES: Brc1cccc(c1)c1nnc(o1)N InChI: InChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12) InChIKey: CVVNMXRTDJRCHC-UHFFFAOYSA-N
CBID:232805 http://www.chembase.cn/molecule-232805.html