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SMILES: c1(cnc(cn1)O)Br Canonical SMILES: Oc1ncc(nc1)Br InChI: InChI=1S/C4H3BrN2O/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8) InChIKey: ITTXBHQAWOFJAI-UHFFFAOYSA-N
CBID:66835 http://www.chembase.cn/molecule-66835.html