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SMILES: c1cnc(c(c1)C)I Canonical SMILES: Cc1cccnc1I InChI: InChI=1S/C6H6IN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3 InChIKey: PTBOOHAPESUXGV-UHFFFAOYSA-N
CBID:29930 http://www.chembase.cn/molecule-29930.html