6TE
Summary
| Name: | ~{N}-[3-[methyl(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide |
| Formula: | C12 H17 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 295.361 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | ~{N}-[3-[methyl(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H17N5O2S/c1-17(9-5-8(6-9)16-20(2,18)19)12-10-3-4-13-11(10)14-7-15-12/h3-4,7-9,16H,5-6H2,1-2H3,(H,13,14,15)/t8-,9+ |
| InChIKey | InChI | 1.03 | QZOGHNDWZHFIJP-DTORHVGOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN([C@H]1C[C@H](C1)N[S](C)(=O)=O)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | CN([CH]1C[CH](C1)N[S](C)(=O)=O)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C |
