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SMILES: n12c(ccc(n1)OCC(=O)O)nnc2 Canonical SMILES: OC(=O)COc1ccc2n(n1)cnn2 InChI: InChI=1S/C7H6N4O3/c12-7(13)3-14-6-2-1-5-9-8-4-11(5)10-6/h1-2,4H,3H2,(H,12,13) InChIKey: KCCUGNPBQXGXGB-UHFFFAOYSA-N
CBID:17204 http://www.chembase.cn/molecule-17204.html