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SMILES: n12c(nc(nc1O)SC)c(cn2)Br Canonical SMILES: CSc1nc(O)n2c(n1)c(Br)cn2 InChI: InChI=1S/C6H5BrN4OS/c1-13-5-9-4-3(7)2-8-11(4)6(12)10-5/h2H,1H3,(H,9,10,12) InChIKey: JAUIVPDBUPYGII-UHFFFAOYSA-N
CBID:50841 http://www.chembase.cn/molecule-50841.html