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Molecular Formula: C22H23N8O16P3S
Molecular weight: 780.448303
InChi: InChI=1S/C22H23N8O16P3S/c23-21-20-13(18-4-2-12(50-18)7-26-27-14-3-1-11(29(32)33)5-15(14)30(34)35)8-28(22(20)25-10-24-21)19-6-16(31)17(44-19)9-43-48(39,40)46-49(41,42)45-47(36,37)38/h1-5,7-8,10,16-17,19,27,31H,6,9H2,(H,39,40)(H,41,42)(H2,23,24,25)(H2,36,37,38)/b26-7+/t16-,17+,19+/m0/s1
InChi Key: HDEGSURLONFZMS-DLBFGFBJSA-N
SMILES: c12c(cn(c1ncnc2N)[C@@H]1O[C@@H]([C@H](C1)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)c1sc(cc1)/C=N/Nc1c(cc(cc1)N(=O)=O)N(=O)=O
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