BR8
Summary
| Name: | BARBITURIC ACID |
| Formula: | C4 H4 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 128.086 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pyrimidine-2,4,6(1H,3H,5H)-trione |
| OpenEye OEToolkits | 1.9.2 | 1,3-diazinane-2,4,6-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)NC(=O)C1 |
| InChI | InChI | 1.03 | InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) |
| InChIKey | InChI | 1.03 | HNYOPLTXPVRDBG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1CC(=O)NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C(=O)NC(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1C(=O)NC(=O)NC1=O |
