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SMILES: n1[nH]c(cc1CN)COC Canonical SMILES: COCc1cc(n[nH]1)CN InChI: InChI=1S/C6H11N3O/c1-10-4-6-2-5(3-7)8-9-6/h2H,3-4,7H2,1H3,(H,8,9) InChIKey: HLOSAEZLPPECDU-UHFFFAOYSA-N
CBID:310412 http://www.chembase.cn/molecule-310412.html