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SMILES: c1(nccnc1C)C=O Canonical SMILES: O=Cc1nccnc1C InChI: InChI=1S/C6H6N2O/c1-5-6(4-9)8-3-2-7-5/h2-4H,1H3 InChIKey: NLLAFZNIRAPTBK-UHFFFAOYSA-N
CBID:308431 http://www.chembase.cn/molecule-308431.html