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SMILES: c1(cnc(c(c1)OC)N)Br Canonical SMILES: COc1cc(Br)cnc1N InChI: InChI=1S/C6H7BrN2O/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3,(H2,8,9) InChIKey: NFBIWMFMHLPVLT-UHFFFAOYSA-N
CBID:32448 http://www.chembase.cn/molecule-32448.html