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SMILES: n1c(ncc(c1)Br)NCC(OC)OC Canonical SMILES: COC(CNc1ncc(cn1)Br)OC InChI: InChI=1S/C8H12BrN3O2/c1-13-7(14-2)5-12-8-10-3-6(9)4-11-8/h3-4,7H,5H2,1-2H3,(H,10,11,12) InChIKey: PVJJQCGQWHXHNS-UHFFFAOYSA-N
CBID:91833 http://www.chembase.cn/molecule-91833.html