5LM
Summary
| Name: | 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione |
| Formula: | C11 H8 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 248.258 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 5-[(~{E})-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H8N2O3S/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+ |
| InChIKey | InChI | 1.03 | XVDGTYMDHFXORY-HNQUOIGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)C(=C/C=C/c2sccc2)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)C(=CC=Cc2sccc2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(sc1)/C=C/C=C2C(=O)NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(sc1)C=CC=C2C(=O)NC(=O)NC2=O |
