TJJ
Summary
| Name: | 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid |
| Formula: | C5 H4 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 140.097 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanylidene-1~{H}-pyrimidine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=CC=C(N1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H4N2O3/c8-4(9)3-1-2-6-5(10)7-3/h1-2H,(H,8,9)(H,6,7,10) |
| InChIKey | InChI | 1.03 | OEPPJKDEBZBNNG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CC=NC(=O)N1 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=CC=NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C(NC(=O)N=C1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(NC(=O)N=C1)C(=O)O |
