VBO
Summary
| Name: | methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate |
| Formula: | C8 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 198.176 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate |
| OpenEye OEToolkits | 2.0.7 | methyl 3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCN1C=CC(=O)NC1=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C8H10N2O4/c1-14-7(12)3-5-10-4-2-6(11)9-8(10)13/h2,4H,3,5H2,1H3,(H,9,11,13) |
| InChIKey | InChI | 1.06 | WFCIIRXTEXKYTF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CCN1C=CC(=O)NC1=O |
| SMILES | CACTVS | 3.385 | COC(=O)CCN1C=CC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)CCN1C=CC(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CCN1C=CC(=O)NC1=O |
