ETV
Summary
| Name: | 4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE |
| Synonyms: | 5-FLUORO-(-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE (-)-BETA-2',3'-DIDEOXY-5-FLUORO-3'-THIACYTIDINE; EMTRICITABINE; EMTRIVA |
| Formula: | C8 H10 F N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 247.247 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one |
| OpenEye OEToolkits | 1.5.0 | 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC=1C(=NC(=O)N(C=1)C2OC(SC2)CO)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1F)[C@@H]2CS[C@H](CO)O2 |
| SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F |
| InChI | InChI | 1.03 | InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | XQSPYNMVSIKCOC-NTSWFWBYSA-N |
