6JA
Summary
| Name: | 2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate |
| Formula: | C9 H11 N3 O3 Se |
| Formal charge: | 0 |
| Formula weight: | 288.162 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11N3O3Se/c1-2-9(3-4-16-5-10)6(13)11-8(15)12-7(9)14/h2-4H2,1H3,(H2,11,12,13,14,15) |
| InChIKey | InChI | 1.03 | LFTCFIKEJOPJTJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1(CC[Se]C#N)C(=O)NC(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CCC1(CC[Se]C#N)C(=O)NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCC1(C(=O)NC(=O)NC1=O)CC[Se]C#N |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCC1(C(=O)NC(=O)NC1=O)CC[Se]C#N |
