B2E
Summary
| Name: | (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine |
| Formula: | C9 H11 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 257.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[[1,3-dimethyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11N3O6/c1-11-7(16)5(6(15)10-3-4(13)14)8(17)12(2)9(11)18/h16H,3H2,1-2H3,(H,10,15)(H,13,14) |
| InChIKey | InChI | 1.03 | FFGCBWXERBBRBA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=C(C(=O)NCC(O)=O)C(=O)N(C)C1=O)O |
| SMILES | CACTVS | 3.385 | CN1C(=C(C(=O)NCC(O)=O)C(=O)N(C)C1=O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O |
