A1FDM
Summary
| Name: | ~{N}-cyclopropyl-4-[2-[2-(5-methylimidazol-1-yl)ethylamino]-5-(trifluoromethyl)pyrimidin-4-yl]benzamide |
| Formula: | C21 H21 F3 N6 O |
| Formal charge: | 0 |
| Formula weight: | 430.426 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-cyclopropyl-4-[2-[2-(5-methylimidazol-1-yl)ethylamino]-5-(trifluoromethyl)pyrimidin-4-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H21F3N6O/c1-13-10-25-12-30(13)9-8-26-20-27-11-17(21(22,23)24)18(29-20)14-2-4-15(5-3-14)19(31)28-16-6-7-16/h2-5,10-12,16H,6-9H2,1H3,(H,28,31)(H,26,27,29) |
| InChIKey | InChI | 1.06 | HOTMCRPUSWVJMQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cncn1CCNc2ncc(c(n2)c3ccc(cc3)C(=O)NC4CC4)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1cncn1CCNc2ncc(c(n2)c3ccc(cc3)C(=O)NC4CC4)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cncn1CCNc2ncc(c(n2)c3ccc(cc3)C(=O)NC4CC4)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cncn1CCNc2ncc(c(n2)c3ccc(cc3)C(=O)NC4CC4)C(F)(F)F |
