UQA
Summary
| Name: | 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione |
| Synonyms: | Phenobarbital |
| Formula: | C12 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione |
| OpenEye OEToolkits | 2.0.7 | 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC1(C(NC(=O)NC1=O)=O)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) |
| InChIKey | InChI | 1.03 | DDBREPKUVSBGFI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 |
