N4U
Summary
| Name: | ~{N}-(2-methylpyrimidin-5-yl)propanamide |
| Formula: | C8 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 165.192 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-methylpyrimidin-5-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H11N3O/c1-3-8(12)11-7-4-9-6(2)10-5-7/h4-5H,3H2,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.06 | FGDIXUKKWMCJCI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cnc(C)nc1 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1cnc(C)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1cnc(nc1)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1cnc(nc1)C |
