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| Standard English name | |
|---|---|
| Cas No. | 1248434-71-0 |
| Alias | (((2R,3S,5R)-5-(5-(3-((4-chloro-6-(2-(3,6-dihydroxy-9H-xanthen-9-yl)benzamido)-1,3,5-triazin-2-yl)amino)prop-1-yn-1-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid |
| Canonical Smiles | OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C#CCNC2N=C(NC(=O)C3=CC=CC=C3C3C4C=CC(O)=CC=4OC4C=C(O)C=CC=43)N=C(Cl)N=2)C(=O)NC1=O |
| MDL No. | |
| Exact Mass | 965.06270 |
| Smiles | O[C@@H](C[C@H](N1C(NC(C(C#CCNC2=NC(Cl)=NC(NC(C3=CC=CC=C3C4C5=C(OC6=C4C=CC(O)=C6)C=C(O)C=C5)=O)=N2)=C1)=O)=O)O7)[C@H]7COP(O)(OP(OP(O)(O)=O)(O)=O)=O |
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| Inchi | InChI=1S/C35H31ClN7O18P3/c36-32-40-33(42-34(41-32)38-31(48)21-6-2-1-5-20(21)29-22-9-7-18(44)12-25(22)58-26-13-19(45)8-10-23(26)29)37-11-3-4-17-15-43(35(49)39-30(17)47)28-14-24(46)27(59-28)16-57-63(53,54)61-64(55,56)60-62(50,51)52/h1-2,5-10,12-13,15,24,27-29,44-46H,11,14,16H2,(H,53,54)(H,55,56)(H,39,47,49)(H2,50,51,52)(H2,37,38,40,41,42,48)/t24-,27+,28+/m0/s1 |
| InchiKey | SDVMKEUJOJSBAN-HNPKZYAISA-N |
| Remark |
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