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SMILES: n1nc([nH]c1Cc1ccc(cc1)Br)N Canonical SMILES: Brc1ccc(cc1)Cc1nnc([nH]1)N InChI: InChI=1S/C9H9BrN4/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H3,11,12,13,14) InChIKey: CTSHSORRMJZRRP-UHFFFAOYSA-N
CBID:799407 http://www.chembase.cn/molecule-799407.html