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SMILES: [C@H]1([C@@H]2[C@H]([C@@H](O1)n1c3nc(nc(c3nc1)N)I)OC(O2)(C)C)C(=O)O Canonical SMILES: OC(=O)[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)n1cnc2c1nc(I)nc2N InChI: InChI=1S/C13H14IN5O5/c1-13(2)23-5-6(24-13)10(22-7(5)11(20)21)19-3-16-4-8(15)17-12(14)18-9(4)19/h3,5-7,10H,1-2H3,(H,20,21)(H2,15,17,18)/t5-,6+,7-,10+/m0/s1 InChIKey: BPWZMRNNBQGXEV-HEZDBXPZSA-N
CBID:171669 http://www.chembase.cn/molecule-171669.html