S7W
Summary
| Name: | TEGAFUR |
| Formula: | C8 H9 F N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 200.167 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-fluoranyl-1-[(2~{R})-oxolan-2-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | WFWLQNSHRPWKFK-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC1=CN([C@H]2CCCO2)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | FC1=CN([CH]2CCCO2)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@@H](OC1)N2C=C(C(=O)NC2=O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(OC1)N2C=C(C(=O)NC2=O)F |
