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SMILES: n1c(nccc1Br)OC Canonical SMILES: COc1nc(Br)ccn1 InChI: InChI=1S/C5H5BrN2O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3 InChIKey: PVSARKGLAVSMNA-UHFFFAOYSA-N
CBID:65212 http://www.chembase.cn/molecule-65212.html