A1BWJ
Summary
| Name: | 5-[(3-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione |
| Formula: | C11 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 234.208 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-[(3-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione |
| OpenEye OEToolkits | 3.1.0.0 | 5-[(3-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NC(=O)NC(=O)C1Cc1cccc(O)c1 |
| InChI | InChI | 1.06 | InChI=1S/C11H10N2O4/c14-7-3-1-2-6(4-7)5-8-9(15)12-11(17)13-10(8)16/h1-4,8,14H,5H2,(H2,12,13,15,16,17) |
| InChIKey | InChI | 1.06 | VHLBCIZZFAHISJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(CC2C(=O)NC(=O)NC2=O)c1 |
| SMILES | CACTVS | 3.385 | Oc1cccc(CC2C(=O)NC(=O)NC2=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)O)CC2C(=O)NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)O)CC2C(=O)NC(=O)NC2=O |
