DK5
Summary
| Name: | 1-(2,3-dideoxy-3-fluoro-beta-D-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one |
| Formula: | C17 H18 F N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 363.34 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | N-[1-[(2R,4R,5R,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-oxo-pyrimidin-4-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC[C@H]1O[C@H](C[C@@H](F)[C@@H]1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3 |
| SMILES | CACTVS | 3.352 | OC[CH]1O[CH](C[CH](F)[CH]1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C[C@H]([C@@H]([C@H](O3)CO)O)F |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)C3CC(C(C(O3)CO)O)F |
| InChI | InChI | 1.03 | InChI=1S/C17H18FN3O5/c18-11-8-14(26-12(9-22)15(11)23)21-7-6-13(20-17(21)25)19-16(24)10-4-2-1-3-5-10/h1-7,11-12,14-15,22-23H,8-9H2,(H,19,20,24,25)/t11-,12-,14-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | JDMVJAAWOFCRPK-GBOPCIDUSA-N |
