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SMILES: n12c(c(cnc1cc(n2)C)CCCBr)C(=O)OCC Canonical SMILES: BrCCCc1cnc2n(c1C(=O)OCC)nc(c2)C InChI: InChI=1S/C13H16BrN3O2/c1-3-19-13(18)12-10(5-4-6-14)8-15-11-7-9(2)16-17(11)12/h7-8H,3-6H2,1-2H3 InChIKey: LOVCRXZCOULFEI-UHFFFAOYSA-N
CBID:281210 http://www.chembase.cn/molecule-281210.html