A1JK1
Summary
| Name: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-(1~{H}-1,2,3-triazol-4-ylmethoxy)phenyl]methyl]-1,3-thiazol-2-yl]ethanamide |
| Formula: | C21 H21 N7 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 467.567 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-(1~{H}-1,2,3-triazol-4-ylmethoxy)phenyl]methyl]-1,3-thiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H21N7O2S2/c1-13-6-14(2)25-21(24-13)31-12-19(29)26-20-22-10-18(32-20)8-15-4-3-5-17(7-15)30-11-16-9-23-28-27-16/h3-7,9-10H,8,11-12H2,1-2H3,(H,22,26,29)(H,23,27,28) |
| InChIKey | InChI | 1.06 | FCCKWTVUSRPZAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)nc(SCC(=O)Nc2sc(Cc3cccc(OCc4c[nH]nn4)c3)cn2)n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)nc(SCC(=O)Nc2sc(Cc3cccc(OCc4c[nH]nn4)c3)cn2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4c[nH]nn4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4c[nH]nn4)C |
