ADT
Summary
| Name: | 3'-DEOXY-3'-ACETAMIDO-THYMIDINE |
| Synonyms: | ((((3'-DEOXY-3'-THYMIDINYL)-AMINO)CARBONYL)METHYL) |
| Formula: | C12 H17 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 283.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3'-(acetylamino)-3'-deoxythymidine |
| OpenEye OEToolkits | 1.5.0 | N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1C)C2OC(C(NC(=O)C)C2)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C)C(=O)NC2=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1C[CH](O[CH]1CO)N2C=C(C)C(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C12H17N3O5/c1-6-4-15(12(19)14-11(6)18)10-3-8(13-7(2)17)9(5-16)20-10/h4,8-10,16H,3,5H2,1-2H3,(H,13,17)(H,14,18,19)/t8-,9+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | OCWNRLPPKHGFCE-IVZWLZJFSA-N |
