WUV
Summary
| Name: | 5'-thiothymidine |
| Formula: | C10 H14 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 258.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5'-thiothymidine |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-1-[(2~{R},4~{S},5~{S})-4-oxidanyl-5-(sulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(S)C2C(CC(N1C(NC(C(C)=C1)=O)=O)O2)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(4-17)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | CPEAGKYEYPXTSP-XLPZGREQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN([C@H]2C[C@H](O)[C@@H](CS)O2)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CC1=CN([CH]2C[CH](O)[CH](CS)O2)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CS)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CS)O |
