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SMILES: Nc1n(nc(c1)C(C)(C)C)c1cc(ccc1)Br Canonical SMILES: Brc1cccc(c1)n1nc(cc1N)C(C)(C)C InChI: InChI=1S/C13H16BrN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-5-9(14)7-10/h4-8H,15H2,1-3H3 InChIKey: HWIOMBXSAUXKSK-UHFFFAOYSA-N
CBID:812050 http://www.chembase.cn/molecule-812050.html