A1EY1
Summary
| Name: | [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| Formula: | C11 H13 N2 O9 P S |
| Formal charge: | 0 |
| Formula weight: | 380.268 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H13N2O9PS/c14-6-5(3-21-23(18,19)20)22-9(7(6)15)13-10-4(1-2-24-10)8(16)12-11(13)17/h1-2,5-7,9,14-15H,3H2,(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1 |
| InChIKey | InChI | 1.06 | WTJWLDXEEZVLGX-JXOAFFINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)c3ccsc23 |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)c3ccsc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1csc2c1C(=O)NC(=O)N2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1csc2c1C(=O)NC(=O)N2C3C(C(C(O3)COP(=O)(O)O)O)O |
