A1EGC
Summary
| Name: | 2-[2-[[4-[(8-chloranyl-1,7-naphthyridin-2-yl)amino]cyclohexyl]methylamino]pyrimidin-5-yl]-N-(oxetan-3-yl)ethanamide |
| Synonyms: | SCHEMBL23169559 |
| Formula: | C24 H28 Cl N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 481.978 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-[[4-[(8-chloranyl-1,7-naphthyridin-2-yl)amino]cyclohexyl]methylamino]pyrimidin-5-yl]-~{N}-(oxetan-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H28ClN7O2/c25-23-22-17(7-8-26-23)3-6-20(32-22)30-18-4-1-15(2-5-18)10-27-24-28-11-16(12-29-24)9-21(33)31-19-13-34-14-19/h3,6-8,11-12,15,18-19H,1-2,4-5,9-10,13-14H2,(H,30,32)(H,31,33)(H,27,28,29)/t15-,18- |
| InChIKey | InChI | 1.06 | BDIXGORKHCHMLO-RZDIXWSQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1nccc2ccc(N[C@@H]3CC[C@H](CC3)CNc4ncc(CC(=O)NC5COC5)cn4)nc12 |
| SMILES | CACTVS | 3.385 | Clc1nccc2ccc(N[CH]3CC[CH](CC3)CNc4ncc(CC(=O)NC5COC5)cn4)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(nc2c1ccnc2Cl)NC3CCC(CC3)CNc4ncc(cn4)CC(=O)NC5COC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(nc2c1ccnc2Cl)NC3CCC(CC3)CNc4ncc(cn4)CC(=O)NC5COC5 |
