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SMILES: c1(nccc(n1)OC)Br Canonical SMILES: COc1ccnc(n1)Br InChI: InChI=1S/C5H5BrN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3 InChIKey: OHOBULDCIMBMDH-UHFFFAOYSA-N
CBID:67764 http://www.chembase.cn/molecule-67764.html