A1L0W
Summary
| Name: | 2-[[6-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid |
| Formula: | C16 H16 F N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 333.314 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[6-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16FN3O4/c1-9-19-12(7-4-10-2-5-11(17)6-3-10)15(23)14(20-9)16(24)18-8-13(21)22/h2-3,5-6,23H,4,7-8H2,1H3,(H,18,24)(H,21,22) |
| InChIKey | InChI | 1.06 | OCRDRHRUSCHDBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(CCc2ccc(F)cc2)c(O)c(n1)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.385 | Cc1nc(CCc2ccc(F)cc2)c(O)c(n1)C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(c(c(n1)C(=O)NCC(=O)O)O)CCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(c(c(n1)C(=O)NCC(=O)O)O)CCc2ccc(cc2)F |
