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SMILES: n12c(cc(n1)C(=O)O)ncc(c2)Br Canonical SMILES: Brc1cnc2n(c1)nc(c2)C(=O)O InChI: InChI=1S/C7H4BrN3O2/c8-4-2-9-6-1-5(7(12)13)10-11(6)3-4/h1-3H,(H,12,13) InChIKey: WDICXYMIEJAABR-UHFFFAOYSA-N
CBID:18530 http://www.chembase.cn/molecule-18530.html