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SMILES: n12c(c(c(n1)C(=O)O)Cl)ncc(c2)CCO Canonical SMILES: OCCc1cnc2n(c1)nc(c2Cl)C(=O)O InChI: InChI=1S/C9H8ClN3O3/c10-6-7(9(15)16)12-13-4-5(1-2-14)3-11-8(6)13/h3-4,14H,1-2H2,(H,15,16) InChIKey: DJSHWXLZXVHQLZ-UHFFFAOYSA-N
CBID:17348 http://www.chembase.cn/molecule-17348.html