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SMILES: n1[nH]c(cc1CC)C=O Canonical SMILES: CCc1n[nH]c(c1)C=O InChI: InChI=1S/C6H8N2O/c1-2-5-3-6(4-9)8-7-5/h3-4H,2H2,1H3,(H,7,8) InChIKey: YJDHAJGVDHPKGV-UHFFFAOYSA-N
CBID:309457 http://www.chembase.cn/molecule-309457.html