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SMILES: c12c(c(cc(n2)C(C)C)C(=O)O)cnn1C(C)C Canonical SMILES: CC(c1cc(C(=O)O)c2c(n1)n(nc2)C(C)C)C InChI: InChI=1S/C13H17N3O2/c1-7(2)11-5-9(13(17)18)10-6-14-16(8(3)4)12(10)15-11/h5-8H,1-4H3,(H,17,18) InChIKey: DMECABOZAOLLJG-UHFFFAOYSA-N
CBID:244852 http://www.chembase.cn/molecule-244852.html