68B
Summary
| Name: | N-(pyrimidin-5-yl)benzamide |
| Formula: | C11 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 199.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(pyrimidin-5-yl)benzamide |
| OpenEye OEToolkits | 2.0.4 | ~{N}-pyrimidin-5-ylbenzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c1cncnc1)C(c2ccccc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15) |
| InChIKey | InChI | 1.03 | RKVZLNKZLQVUID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1cncnc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C(Nc1cncnc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)C(=O)Nc2cncnc2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)C(=O)Nc2cncnc2 |
