H5E
Summary
| Name: | 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione |
| Formula: | C13 H17 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 279.358 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17N3O2S/c1-12(2,3)8-7-19-9(14-8)6-16-10(17)13(4-5-13)15-11(16)18/h7H,4-6H2,1-3H3,(H,15,18) |
| InChIKey | InChI | 1.03 | CFOGTQXOCWUQMT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1csc(CN2C(=O)NC3(CC3)C2=O)n1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1csc(CN2C(=O)NC3(CC3)C2=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O |
