A1D94
Summary
| Name: | 4-azanyl-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carboxamide |
| Synonyms: | STK779818 |
| Formula: | C8 H10 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 238.203 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H10N6O3/c9-7-6(14(16)17-13-7)8(15)11-2-1-5-3-10-4-12-5/h3-4H,1-2H2,(H2,9,13)(H,10,12)(H,11,15) |
| InChIKey | InChI | 1.06 | GJRNIMNAEDELEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1no[n+]([O-])c1C(=O)NCCc2c[nH]cn2 |
| SMILES | CACTVS | 3.385 | Nc1no[n+]([O-])c1C(=O)NCCc2c[nH]cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nc[nH]1)CCNC(=O)c2c(no[n+]2[O-])N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nc[nH]1)CCNC(=O)c2c(no[n+]2[O-])N |
