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SMILES: c1c(Br)c2c([nH]1)[nH]cnc2=O Canonical SMILES: Brc1c[nH]c2c1c(=O)nc[nH]2 InChI: InChI=1S/C6H4BrN3O/c7-3-1-8-5-4(3)6(11)10-2-9-5/h1-2H,(H2,8,9,10,11) InChIKey: XJUAXRSIRZNYBE-UHFFFAOYSA-N
CBID:287661 http://www.chembase.cn/molecule-287661.html