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SMILES: n1[nH]nnc1c1cc(c(cc1)C)Br Canonical SMILES: Cc1ccc(cc1Br)c1n[nH]nn1 InChI: InChI=1S/C8H7BrN4/c1-5-2-3-6(4-7(5)9)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13) InChIKey: DDTMWVWPEPRPBC-UHFFFAOYSA-N
CBID:810781 http://www.chembase.cn/molecule-810781.html