6IL
Summary
| Name: | ~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide |
| Formula: | C23 H20 F N5 O S2 |
| Formal charge: | 0 |
| Formula weight: | 465.566 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H20FN5OS2/c24-16-8-20-18(27-11-31-20)9-17(16)29-21-15-7-19(32-23(15)26-10-25-21)12-3-5-14(6-4-12)28-22(30)13-1-2-13/h3,7-11,13-14H,1-2,4-6H2,(H,28,30)(H,25,26,29)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | HBUARMMKBQMRBE-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc2scnc2cc1Nc3ncnc4sc(cc34)C5=CC[C@@H](CC5)NC(=O)C6CC6 |
| SMILES | CACTVS | 3.385 | Fc1cc2scnc2cc1Nc3ncnc4sc(cc34)C5=CC[CH](CC5)NC(=O)C6CC6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(ncnc2sc1C3=CC[C@@H](CC3)NC(=O)C4CC4)Nc5cc6c(cc5F)scn6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(ncnc2sc1C3=CCC(CC3)NC(=O)C4CC4)Nc5cc6c(cc5F)scn6 |
