QKZ
Summary
| Name: | 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide |
| Formula: | C12 H10 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 247.68 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H10ClN3O/c13-10-4-2-9(3-5-10)8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17) |
| InChIKey | InChI | 1.03 | RHMYHGQXWBKCMJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CC(=O)Nc2ncccn2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CC(=O)Nc2ncccn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(nc1)NC(=O)Cc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(nc1)NC(=O)Cc2ccc(cc2)Cl |
