LXN
Summary
| Name: | ALLOXAN |
| Synonyms: | MESOXALYLUREA |
| Formula: | C4 H2 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 142.07 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | pyrimidine-2,4,5,6(1H,3H)-tetrone |
| OpenEye OEToolkits | 1.6.1 | 1,3-diazinane-2,4,5,6-tetrone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(=O)NC(=O)NC1=O |
| SMILES_CANONICAL | CACTVS | 3.352 | O=C1NC(=O)C(=O)C(=O)N1 |
| SMILES | CACTVS | 3.352 | O=C1NC(=O)C(=O)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C1(=O)C(=O)NC(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 1.6.1 | C1(=O)C(=O)NC(=O)NC1=O |
| InChI | InChI | 1.03 | InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10) |
| InChIKey | InChI | 1.03 | HIMXGTXNXJYFGB-UHFFFAOYSA-N |
