A1JK0
Summary
| Name: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-[[1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide |
| Formula: | C34 H38 N8 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 686.847 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-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C34H38N8O4S2/c1-24-16-25(2)37-34(36-24)47-23-32(43)38-33-35-19-31(48-33)18-27-4-3-5-30(17-27)46-22-28-21-42(40-39-28)20-26-6-8-29(9-7-26)45-15-12-41-10-13-44-14-11-41/h3-9,16-17,19,21H,10-15,18,20,22-23H2,1-2H3,(H,35,38,43) |
| InChIKey | InChI | 1.06 | CTNBHQJETORMIL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)nc(SCC(=O)Nc2sc(Cc3cccc(OCc4cn(Cc5ccc(OCCN6CCOCC6)cc5)nn4)c3)cn2)n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)nc(SCC(=O)Nc2sc(Cc3cccc(OCc4cn(Cc5ccc(OCCN6CCOCC6)cc5)nn4)c3)cn2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)Cc5ccc(cc5)OCCN6CCOCC6)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)Cc5ccc(cc5)OCCN6CCOCC6)C |
