A1MCD
Summary
| Name: | 4-oxidanyl-~{N}-(2-phenylpropan-2-yl)-2-pyrazol-1-yl-pyrimidine-5-carboxamide |
| Formula: | C17 H17 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 323.349 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-oxidanyl-~{N}-(2-phenylpropan-2-yl)-2-pyrazol-1-yl-pyrimidine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H17N5O2/c1-17(2,12-7-4-3-5-8-12)21-15(24)13-11-18-16(20-14(13)23)22-10-6-9-19-22/h3-11H,1-2H3,(H,21,24)(H,18,20,23) |
| InChIKey | InChI | 1.06 | OWIYRQCICNVJRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(NC(=O)c1cnc(nc1O)n2cccn2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CC(C)(NC(=O)c1cnc(nc1O)n2cccn2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(c1ccccc1)NC(=O)c2cnc(nc2O)n3cccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(c1ccccc1)NC(=O)c2cnc(nc2O)n3cccn3 |
