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SMILES: c1ccnc(c1)NC=O Canonical SMILES: O=CNc1ccccn1 InChI: InChI=1S/C6H6N2O/c9-5-8-6-3-1-2-4-7-6/h1-5H,(H,7,8,9) InChIKey: NOCSAAHHSOQRCI-UHFFFAOYSA-N
CBID:139257 http://www.chembase.cn/molecule-139257.html