TQB
Summary
| Name: | 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one |
| Formula: | C16 H14 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 299.755 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14ClN3O/c1-19(2)15-13-9-8-11(17)10-14(13)20(16(21)18-15)12-6-4-3-5-7-12/h3-10H,1-2H3 |
| InChIKey | InChI | 1.03 | JMLJEYLWRAPHBL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C1=NC(=O)N(c2ccccc2)c3cc(Cl)ccc13 |
| SMILES | CACTVS | 3.385 | CN(C)C1=NC(=O)N(c2ccccc2)c3cc(Cl)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3 |
