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SMILES: c1(cnc(cn1)Br)NC(=O)OC(C)(C)C Canonical SMILES: O=C(Nc1ncc(nc1)Br)OC(C)(C)C InChI: InChI=1S/C9H12BrN3O2/c1-9(2,3)15-8(14)13-7-5-11-6(10)4-12-7/h4-5H,1-3H3,(H,12,13,14) InChIKey: PNYUSBALYDXDRK-UHFFFAOYSA-N
CBID:66547 http://www.chembase.cn/molecule-66547.html