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SMILES: c1(cnc2c(c1)OCCO2)C#N Canonical SMILES: N#Cc1cnc2c(c1)OCCO2 InChI: InChI=1S/C8H6N2O2/c9-4-6-3-7-8(10-5-6)12-2-1-11-7/h3,5H,1-2H2 InChIKey: PEUMBPSFICEIOM-UHFFFAOYSA-N
CBID:54429 http://www.chembase.cn/molecule-54429.html