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SMILES: c1cnc(cc1Br)N Canonical SMILES: Brc1ccnc(c1)N InChI: InChI=1S/C5H5BrN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8) InChIKey: BAQKUNMKVAPWGU-UHFFFAOYSA-N
CBID:29882 http://www.chembase.cn/molecule-29882.html