TJ4
Summary
| Name: | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid |
| Formula: | C7 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 168.15 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 4,5-dimethyl-2-oxidanylidene-1~{H}-pyrimidine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=C(C(=N1)C)C)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H8N2O3/c1-3-4(2)8-7(12)9-5(3)6(10)11/h1-2H3,(H,10,11)(H,8,9,12) |
| InChIKey | InChI | 1.03 | ZXECTTZQEACQGR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=NC(=O)NC(=C1C)C(O)=O |
| SMILES | CACTVS | 3.385 | CC1=NC(=O)NC(=C1C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(NC(=O)N=C1C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(NC(=O)N=C1C)C(=O)O |
