91N
Summary
| Name: | [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate |
| Formula: | C15 H16 N3 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 397.343 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16N3O6PS/c19-10-6-13(24-11(10)7-23-25(20,21)22)18-8-17-14-9(3-4-16-15(14)18)12-2-1-5-26-12/h1-5,8,10-11,13,19H,6-7H2,(H2,20,21,22)/t10-,11+,13+/m0/s1 |
| InChIKey | InChI | 1.03 | GLFNHMNJDTYQMB-DMDPSCGWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(ccnc23)c4sccc4 |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(ccnc23)c4sccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)c2ccnc3c2ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)c2ccnc3c2ncn3C4CC(C(O4)COP(=O)(O)O)O |
