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SMILES: c1(cnc(nc1)Cl)C#C Canonical SMILES: C#Cc1cnc(nc1)Cl InChI: InChI=1S/C6H3ClN2/c1-2-5-3-8-6(7)9-4-5/h1,3-4H InChIKey: DSPBPHGCXOTQQN-UHFFFAOYSA-N
CBID:814004 http://www.chembase.cn/molecule-814004.html