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SMILES: c1cc(c[n+](c1)[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)n1cnc3c1ncnc3N)OP(=O)(O2)[O-])O)O)C(=O)N.O.[Na+].[Na+] Canonical SMILES: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@H]3[C@@H]2OP(=O)(O3)[O-])n2cnc3c2ncnc3N)[O-])[O-])O[C@H]([C@@H]1O)[n+]1cccc(c1)C(=O)N.O.[Na+].[Na+] InChI: InChI=1S/C21H26N7O16P3.2Na.H2O/c22-17-12-19(25-7-24-17)28(8-26-12)21-16-15(42-47(36,37)43-16)11(41-21)6-39-46(34,35)44-45(32,33)38-5-10-13(29)14(30)20(40-10)27-3-1-2-9(4-27)18(23)31;;;/h1-4,7-8,10-11,13-16,20-21,29-30H,5-6H2,(H6-,22,23,24,25,31,32,33,34,35,36,37);;;1H2/q;2*+1;/p-2/t10-,11-,13-,14-,15-,16-,20-,21-;;;/m1.../s1 InChIKey: MIRCUEMBVUDWBT-UHOVGGJYSA-L
CBID:130925 http://www.chembase.cn/molecule-130925.html