4ZH
Summary
| Name: | 2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine |
| Formula: | C19 H26 N6 O3 S |
| Formal charge: | 0 |
| Formula weight: | 418.513 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.2 | 2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H26N6O3S/c1-12(2)25-13(3)22-14-10-21-17(9-15(14)25)23-16-7-8-20-18(24-16)28-11-19(4,5)29(6,26)27/h7-10,12H,11H2,1-6H3,(H,20,21,23,24) |
| InChIKey | InChI | 1.03 | SHYWETJFHVMCJS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1c(C)nc2cnc(Nc3ccnc(OCC(C)(C)[S](C)(=O)=O)n3)cc12 |
| SMILES | CACTVS | 3.385 | CC(C)n1c(C)nc2cnc(Nc3ccnc(OCC(C)(C)[S](C)(=O)=O)n3)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)OCC(C)(C)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)OCC(C)(C)S(=O)(=O)C |
