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SMILES: o1c(nnc1CCC1CCCC1)N Canonical SMILES: Nc1nnc(o1)CCC1CCCC1 InChI: InChI=1S/C9H15N3O/c10-9-12-11-8(13-9)6-5-7-3-1-2-4-7/h7H,1-6H2,(H2,10,12) InChIKey: IBIWZAMYAVMDQJ-UHFFFAOYSA-N
CBID:115804 http://www.chembase.cn/molecule-115804.html