KYR
Summary
| Name: | 4-(4-methylphenyl)-1~{H}-quinazolin-2-one |
| Formula: | C15 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 236.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-methylphenyl)-1~{H}-quinazolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15(18)17-14/h2-9H,1H3,(H,16,17,18) |
| InChIKey | InChI | 1.06 | LPCDEMFDWKLSBL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)C2=NC(=O)Nc3ccccc23 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)C2=NC(=O)Nc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C2=NC(=O)Nc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C2=NC(=O)Nc3c2cccc3 |
