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SMILES: c1c(cncc1Br)c1[nH]nnn1 Canonical SMILES: Brc1cncc(c1)c1nnn[nH]1 InChI: InChI=1S/C6H4BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12) InChIKey: XJGDASCALCDOQH-UHFFFAOYSA-N
CBID:144616 http://www.chembase.cn/molecule-144616.html