9Z2
Summary
| Name: | ~{N}-(4-pyrimidin-2-ylphenyl)propanamide |
| Formula: | C13 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 227.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(4-pyrimidin-2-ylphenyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O/c1-2-12(17)16-11-6-4-10(5-7-11)13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | AYWSBVNLDJWGBC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1ccc(cc1)c2ncccn2 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc(cc1)c2ncccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1ccc(cc1)c2ncccn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1ccc(cc1)c2ncccn2 |
