2AL
Summary
| Name: | 1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL-4-YL)UREA |
| Synonyms: | ALLANTOIN |
| Formula: | C4 H4 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 156.1 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(2,5-dioxo-2,5-dihydro-1H-imidazol-4-yl)urea |
| OpenEye OEToolkits | 1.5.0 | (2,5-dioxoimidazol-4-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(=NC(=O)N1)NC(=O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)NC1=NC(=O)NC1=O |
| SMILES | CACTVS | 3.341 | NC(=O)NC1=NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1(=O)C(=NC(=O)N1)NC(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1(=O)C(=NC(=O)N1)NC(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C4H4N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h(H4,5,6,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | MFAONEQLPARJAO-UHFFFAOYSA-N |
