EDV
Summary
| Name: | 1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione |
| Synonyms: | (2'S)-2'-DEOXY-2'-METHYL-5-ETHYNYLURIDINE |
| Formula: | C12 H14 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 266.25 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.7.6 | 5-ethynyl-1-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3-methyl-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2C)CO |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O5/c1-3-7-4-14(12(18)13-10(7)17)11-6(2)9(16)8(5-15)19-11/h1,4,6,8-9,11,15-16H,5H2,2H3,(H,13,17,18)/t6-,8+,9-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | HBALXYGFMJGYHQ-GTQWGBSQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=C(C#C)C(=O)NC2=O |
| SMILES | CACTVS | 3.385 | C[CH]1[CH](O)[CH](CO)O[CH]1N2C=C(C#C)C(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#C)CO)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(OC1N2C=C(C(=O)NC2=O)C#C)CO)O |
