A2I
Summary
| Name: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide |
| Formula: | C21 H21 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 379.475 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[3-(phenoxymethyl)phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H21N3O2S/c1-15-11-16(2)23-21(22-15)27-14-20(25)24-18-8-6-7-17(12-18)13-26-19-9-4-3-5-10-19/h3-12H,13-14H2,1-2H3,(H,24,25) |
| InChIKey | InChI | 1.03 | UTHZHWWWTOWRMG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccccc3)c2)n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccccc3)c2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccccc3)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccccc3)C |
