IRO
Summary
| Name: | 5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| Synonyms: | 5-iodoorotic acid |
| Formula: | C5 H3 I N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 281.993 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 5-iodanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)O)=C(I)C(=O)N1 |
| InChI | InChI | 1.03 | InChI=1S/C5H3IN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12) |
| InChIKey | InChI | 1.03 | NWVVOUXUHGRCGE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=C(I)C(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.370 | OC(=O)C1=C(I)C(=O)NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1(=C(NC(=O)NC1=O)C(=O)O)I |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1(=C(NC(=O)NC1=O)C(=O)O)I |
