A1L7B
Summary
| Name: | Azumolene |
| Formula: | C13 H9 Br N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 349.14 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(~{E})-[5-(4-bromophenyl)-1,3-oxazol-2-yl]methylideneamino]imidazolidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H9BrN4O3/c14-9-3-1-8(2-4-9)10-5-15-12(21-10)6-16-18-7-11(19)17-13(18)20/h1-6H,7H2,(H,17,19,20)/b16-6+ |
| InChIKey | InChI | 1.06 | SEGCNGONCZQFDW-OMCISZLKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(cc1)c2oc(\C=N\N3CC(=O)NC3=O)nc2 |
| SMILES | CACTVS | 3.385 | Brc1ccc(cc1)c2oc(C=NN3CC(=O)NC3=O)nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cnc(o2)/C=N/N3CC(=O)NC3=O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cnc(o2)C=NN3CC(=O)NC3=O)Br |
