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SMILES: n12c(nc(n2)CC(=O)O)nc(c(c1O)Br)C Canonical SMILES: OC(=O)Cc1nn2c(n1)nc(c(c2O)Br)C InChI: InChI=1S/C8H7BrN4O3/c1-3-6(9)7(16)13-8(10-3)11-4(12-13)2-5(14)15/h16H,2H2,1H3,(H,14,15) InChIKey: CAASPFVVBXJIPK-UHFFFAOYSA-N
CBID:310851 http://www.chembase.cn/molecule-310851.html