YRO
Summary
| Name: | 5-(3,3-dimethylbutyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| Formula: | C11 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 240.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(3,3-dimethylbutyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 5-(3,3-dimethylbutyl)-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)CCC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O4/c1-11(2,3)5-4-6-7(9(15)16)12-10(17)13-8(6)14/h4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17) |
| InChIKey | InChI | 1.03 | HROWFJPIAGSCKL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)CCC1=C(NC(=O)NC1=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)(C)CCC1=C(NC(=O)NC1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)CCC1=C(NC(=O)NC1=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)CCC1=C(NC(=O)NC1=O)C(=O)O |
