A1FDO
Summary
| Name: | ~{N}-[2-(5-methylimidazol-1-yl)ethyl]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine |
| Formula: | C18 H18 F3 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 425.428 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(5-methylimidazol-1-yl)ethyl]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H18F3N5O2S/c1-12-9-22-11-26(12)8-7-23-17-24-10-15(18(19,20)21)16(25-17)13-3-5-14(6-4-13)29(2,27)28/h3-6,9-11H,7-8H2,1-2H3,(H,23,24,25) |
| InChIKey | InChI | 1.06 | BJWROJABCFVQDX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cncn1CCNc2ncc(c(n2)c3ccc(cc3)[S](C)(=O)=O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1cncn1CCNc2ncc(c(n2)c3ccc(cc3)[S](C)(=O)=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cncn1CCNc2ncc(c(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cncn1CCNc2ncc(c(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F |
