TJP
Summary
| Name: | methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate |
| Formula: | C6 H6 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 154.123 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 2-oxo-2,3-dihydropyrimidine-4-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-oxidanylidene-1~{H}-pyrimidine-6-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)OC)=CC=N1 |
| InChI | InChI | 1.03 | InChI=1S/C6H6N2O3/c1-11-5(9)4-2-3-7-6(10)8-4/h2-3H,1H3,(H,7,8,10) |
| InChIKey | InChI | 1.03 | BJFHABUKRPPLGH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C1=CC=NC(=O)N1 |
| SMILES | CACTVS | 3.385 | COC(=O)C1=CC=NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)C1=CC=NC(=O)N1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C1=CC=NC(=O)N1 |
