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SMILES: n1(nc(c2c1ncnc2N)Br)C(C)(C)C Canonical SMILES: Brc1nn(c2c1c(N)ncn2)C(C)(C)C InChI: InChI=1S/C9H12BrN5/c1-9(2,3)15-8-5(6(10)14-15)7(11)12-4-13-8/h4H,1-3H3,(H2,11,12,13) InChIKey: SOSYGGKAIVNKLX-UHFFFAOYSA-N
CBID:61856 http://www.chembase.cn/molecule-61856.html