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SMILES: c12n(cc(cn2)CCO)ncc1C(=O)O Canonical SMILES: OCCc1cnc2n(c1)ncc2C(=O)O InChI: InChI=1S/C9H9N3O3/c13-2-1-6-3-10-8-7(9(14)15)4-11-12(8)5-6/h3-5,13H,1-2H2,(H,14,15) InChIKey: ZHSNJCKEJWLPRA-UHFFFAOYSA-N
CBID:17349 http://www.chembase.cn/molecule-17349.html