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SMILES: c1(n[nH]c2ncc(cc12)Br)C Canonical SMILES: Brc1cnc2c(c1)c(C)n[nH]2 InChI: InChI=1S/C7H6BrN3/c1-4-6-2-5(8)3-9-7(6)11-10-4/h2-3H,1H3,(H,9,10,11) InChIKey: NHGRQAMIQCHTFI-UHFFFAOYSA-N
CBID:63404 http://www.chembase.cn/molecule-63404.html