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SMILES: n1c(n[nH]c1CC(C)C)c1cc(c(cc1)F)CO Canonical SMILES: OCc1cc(ccc1F)c1n[nH]c(n1)CC(C)C InChI: InChI=1S/C13H16FN3O/c1-8(2)5-12-15-13(17-16-12)9-3-4-11(14)10(6-9)7-18/h3-4,6,8,18H,5,7H2,1-2H3,(H,15,16,17) InChIKey: XZQWKXMFJIXJEL-UHFFFAOYSA-N
CBID:460306 http://www.chembase.cn/molecule-460306.html