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SMILES: n1cnc2c(c1N)nc(n2CCOC(=O)C)Br Canonical SMILES: CC(=O)OCCn1c(Br)nc2c1ncnc2N InChI: InChI=1S/C9H10BrN5O2/c1-5(16)17-3-2-15-8-6(14-9(15)10)7(11)12-4-13-8/h4H,2-3H2,1H3,(H2,11,12,13) InChIKey: NZSBWJIBMAJTTQ-UHFFFAOYSA-N
CBID:65096 http://www.chembase.cn/molecule-65096.html