A1L0V
Summary
| Name: | 2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid |
| Formula: | C15 H14 F N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 319.288 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H14FN3O4/c1-8-18-11(6-9-2-4-10(16)5-3-9)14(22)13(19-8)15(23)17-7-12(20)21/h2-5,22H,6-7H2,1H3,(H,17,23)(H,20,21) |
| InChIKey | InChI | 1.06 | MNJZVYOQKXSJCJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(Cc2ccc(F)cc2)c(O)c(n1)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.385 | Cc1nc(Cc2ccc(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)Cc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(c(c(n1)C(=O)NCC(=O)O)O)Cc2ccc(cc2)F |
