A1IE9
Summary
| Name: | 4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride |
| Formula: | C18 H20 F N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 405.447 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H20FN5O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,20,21,22,23,24) |
| InChIKey | InChI | 1.06 | QWYVXDRSMMAVGY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | F[S](=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)cc1 |
| SMILES | CACTVS | 3.385 | F[S](=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3)S(=O)(=O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3)S(=O)(=O)F |
