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SMILES: O=c1n(c2ccc(Br)cc2)cn[nH]1 Canonical SMILES: Brc1ccc(cc1)n1cn[nH]c1=O InChI: InChI=1S/C8H6BrN3O/c9-6-1-3-7(4-2-6)12-5-10-11-8(12)13/h1-5H,(H,11,13) InChIKey: XZOFKUWCLXPJBZ-UHFFFAOYSA-N
CBID:290390 http://www.chembase.cn/molecule-290390.html