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SMILES: n12c(c(c(n1)C)Br)cn[nH]c2=O Canonical SMILES: Cc1nn2c(c1Br)cn[nH]c2=O InChI: InChI=1S/C6H5BrN4O/c1-3-5(7)4-2-8-9-6(12)11(4)10-3/h2H,1H3,(H,9,12) InChIKey: YDNQZZLDNBBBDM-UHFFFAOYSA-N
CBID:309466 http://www.chembase.cn/molecule-309466.html