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SMILES: n1c(nncc1c1ccc(cc1)Br)N Canonical SMILES: Brc1ccc(cc1)c1cnnc(n1)N InChI: InChI=1S/C9H7BrN4/c10-7-3-1-6(2-4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14) InChIKey: YVDVINSIUHWSPX-UHFFFAOYSA-N
CBID:253235 http://www.chembase.cn/molecule-253235.html