WHC
Summary
| Name: | 1~{H}-1,3,5-triazine-2,4-dione |
| Synonyms: | 5-azauracil |
| Formula: | C3 H3 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 113.075 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1~{H}-1,3,5-triazine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C3H3N3O2/c7-2-4-1-5-3(8)6-2/h1H,(H2,4,5,6,7,8) |
| InChIKey | InChI | 1.06 | GEWRKGDRYZIFNP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=NC(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1NC=NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=NC(=O)NC(=O)N1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=NC(=O)NC(=O)N1 |
