A1BZM
Summary
| Name: | 5-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione |
| Formula: | C12 H12 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 264.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione |
| OpenEye OEToolkits | 3.1.0.0 | 5-[(3-methoxy-4-oxidanyl-phenyl)methyl]-1,3-diazinane-2,4,6-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NC(=O)NC(=O)C1Cc1ccc(O)c(OC)c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H12N2O5/c1-19-9-5-6(2-3-8(9)15)4-7-10(16)13-12(18)14-11(7)17/h2-3,5,7,15H,4H2,1H3,(H2,13,14,16,17,18) |
| InChIKey | InChI | 1.06 | NMORDWBHFQWWLA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CC2C(=O)NC(=O)NC2=O)ccc1O |
| SMILES | CACTVS | 3.385 | COc1cc(CC2C(=O)NC(=O)NC2=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cc(ccc1O)CC2C(=O)NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cc(ccc1O)CC2C(=O)NC(=O)NC2=O |
