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SMILES: n1c(ncnc1N)Nc1ccc(Br)cc1 Canonical SMILES: Brc1ccc(cc1)Nc1ncnc(n1)N InChI: InChI=1S/C9H8BrN5/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15) InChIKey: UBVSIAHUTXHQTD-UHFFFAOYSA-N
CBID:232253 http://www.chembase.cn/molecule-232253.html