A1AVS
Summary
| Name: | 5-benzyl-1,3-diazinane-2,4,6-trione |
| Formula: | C11 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 218.209 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-benzyl-1,3-diazinane-2,4,6-trione |
| OpenEye OEToolkits | 2.0.7 | 5-(phenylmethyl)-1,3-diazinane-2,4,6-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)NC(=O)C1Cc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H10N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,13,14,15,16) |
| InChIKey | InChI | 1.06 | MENIJRPFVLNJIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)C(Cc2ccccc2)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)C(Cc2ccccc2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2C(=O)NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2C(=O)NC(=O)NC2=O |
