WLK
Summary
| Name: | [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone |
| Formula: | C24 H23 N7 O S |
| Formal charge: | 0 |
| Formula weight: | 457.551 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | [(3~{R})-3-[[4-(4-cyclopropyl-2-phenyl-imidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CC(Nc2nc(ccn2)n2cc(nc2c2ccccc2)C2CC2)CC1)c1nccs1 |
| InChI | InChI | 1.06 | InChI=1S/C24H23N7OS/c32-23(22-25-11-13-33-22)30-12-9-18(14-30)27-24-26-10-8-20(29-24)31-15-19(16-6-7-16)28-21(31)17-4-2-1-3-5-17/h1-5,8,10-11,13,15-16,18H,6-7,9,12,14H2,(H,26,27,29)/t18-/m1/s1 |
| InChIKey | InChI | 1.06 | WMOACOPVFVMARL-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CC[C@H](C1)Nc2nccc(n2)n3cc(nc3c4ccccc4)C5CC5)c6sccn6 |
| SMILES | CACTVS | 3.385 | O=C(N1CC[CH](C1)Nc2nccc(n2)n3cc(nc3c4ccccc4)C5CC5)c6sccn6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc(cn2c3ccnc(n3)N[C@@H]4CCN(C4)C(=O)c5nccs5)C6CC6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc(cn2c3ccnc(n3)NC4CCN(C4)C(=O)c5nccs5)C6CC6 |
