ERO
Summary
| Name: | 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| Synonyms: | 5-vinyl-orotic acid |
| Formula: | C7 H6 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 182.134 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 5-ethenyl-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(C(=O)N1)/C=C |
| InChI | InChI | 1.03 | InChI=1S/C7H6N2O4/c1-2-3-4(6(11)12)8-7(13)9-5(3)10/h2H,1H2,(H,11,12)(H2,8,9,10,13) |
| InChIKey | InChI | 1.03 | HSXVSUXAHMUYQD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=C(C=C)C(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.370 | OC(=O)C1=C(C=C)C(=O)NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=CC1=C(NC(=O)NC1=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=CC1=C(NC(=O)NC1=O)C(=O)O |
