A1JGA
Summary
| Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate |
| Formula: | C13 H17 N5 O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 465.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H17N5O10P2/c1-25-29(21,22)28-30(23,24)26-4-8-10(19)11(20)13(5-14,27-8)9-3-2-7-12(15)16-6-17-18(7)9/h2-3,6,8,10-11,19-20H,4H2,1H3,(H,21,22)(H,23,24)(H2,15,16,17)/t8-,10-,11-,13+/m1/s1 |
| InChIKey | InChI | 1.06 | LHSHZBZZZUSBLE-VUXODMRMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c2ccc3n2ncnc3N |
| SMILES | CACTVS | 3.385 | CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[C](C#N)([CH](O)[CH]1O)c2ccc3n2ncnc3N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)c2ccc3n2ncnc3N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)(C#N)c2ccc3n2ncnc3N)O)O |
