5CU
Summary
| Name: | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid |
| Formula: | C5 H4 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 156.096 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(C(=O)O)=CNC(=O)N1 |
| InChI | InChI | 1.03 | InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) |
| InChIKey | InChI | 1.03 | ZXYAAVBXHKCJJB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CNC(=O)NC1=O |
| SMILES | CACTVS | 3.385 | OC(=O)C1=CNC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=C(C(=O)NC(=O)N1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=C(C(=O)NC(=O)N1)C(=O)O |
