A1EUK
Summary
| Name: | ~{N}-[6-[[5-bromanyl-2-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-7-yl)amino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-~{N}-methyl-methanesulfonamide |
| Formula: | C24 H25 Br N8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 569.477 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[6-[[5-bromanyl-2-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-7-yl)amino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-~{N}-methyl-methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H25BrN8O2S/c1-32-11-8-15-4-5-17(12-16(15)14-32)29-24-28-13-18(25)23(31-24)30-20-7-6-19-21(27-10-9-26-19)22(20)33(2)36(3,34)35/h4-7,9-10,12-13H,8,11,14H2,1-3H3,(H2,28,29,30,31) |
| InChIKey | InChI | 1.06 | SDOJMAIZMYVYCJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCc2ccc(Nc3ncc(Br)c(Nc4ccc5nccnc5c4N(C)[S](C)(=O)=O)n3)cc2C1 |
| SMILES | CACTVS | 3.385 | CN1CCc2ccc(Nc3ncc(Br)c(Nc4ccc5nccnc5c4N(C)[S](C)(=O)=O)n3)cc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCc2ccc(cc2C1)Nc3ncc(c(n3)Nc4ccc5c(c4N(C)S(=O)(=O)C)nccn5)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCc2ccc(cc2C1)Nc3ncc(c(n3)Nc4ccc5c(c4N(C)S(=O)(=O)C)nccn5)Br |
