GJB
Summary
| Name: | 1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione |
| 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 | 1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione |
| OpenEye OEToolkits | 1.7.6 | 1-(2-phenylethyl)-1,3-diazinane-2,4,6-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N(C(=O)CC(=O)N1)CCc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O3/c15-10-8-11(16)14(12(17)13-10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15,17) |
| InChIKey | InChI | 1.03 | MHIKXQXNKSZIGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1CC(=O)N(CCc2ccccc2)C(=O)N1 |
| SMILES | CACTVS | 3.370 | O=C1CC(=O)N(CCc2ccccc2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O |
