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SMILES: n1c(nn(c1)CC(=O)OCC)Br Canonical SMILES: CCOC(=O)Cn1cnc(n1)Br InChI: InChI=1S/C6H8BrN3O2/c1-2-12-5(11)3-10-4-8-6(7)9-10/h4H,2-3H2,1H3 InChIKey: PBUXBPCBEQVRST-UHFFFAOYSA-N
CBID:309381 http://www.chembase.cn/molecule-309381.html