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SMILES: O.Br.Nc1nc2c3c([nH]1)cccc3ccc2 Canonical SMILES: Nc1nc2cccc3c2c([nH]1)ccc3.O.Br InChI: InChI=1S/C11H9N3.BrH.H2O/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8;;/h1-6H,(H3,12,13,14);1H;1H2 InChIKey: OOXFTZVZWUMSIW-UHFFFAOYSA-N
CBID:112070 http://www.chembase.cn/molecule-112070.html