IJZ
Summary
| Name: | 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| Synonyms: | 5-aminoorotic acid |
| Formula: | C5 H5 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 171.111 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12) |
| InChIKey | InChI | 1.03 | HWCXJKLFOSBVLH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=C(NC(=O)NC1=O)C(O)=O |
| SMILES | CACTVS | 3.385 | NC1=C(NC(=O)NC1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C1(=C(NC(=O)NC1=O)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.5 | C1(=C(NC(=O)NC1=O)C(=O)O)N |
