OF8
Summary
| Name: | 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone |
| Formula: | C14 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 237.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11N3O/c1-10(18)13-9-11(12-5-2-3-6-15-12)14-16-7-4-8-17(13)14/h2-9H,1H3 |
| InChIKey | InChI | 1.03 | LNUJODOPWTZPCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cc(c2ccccn2)c3ncccn13 |
| SMILES | CACTVS | 3.385 | CC(=O)c1cc(c2ccccn2)c3ncccn13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc(c2n1cccn2)c3ccccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc(c2n1cccn2)c3ccccn3 |
