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SMILES: n1c(c(c(n1C)C)I)C Canonical SMILES: Cc1nn(c(c1I)C)C InChI: InChI=1S/C6H9IN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3 InChIKey: RUOGLHMRBURIEQ-UHFFFAOYSA-N
CBID:80642 http://www.chembase.cn/molecule-80642.html