9C5
Summary
| Name: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one |
| Formula: | C17 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 295.336 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17N3O2/c1-20(10-11-21)13-8-6-12(7-9-13)16-18-15-5-3-2-4-14(15)17(22)19-16/h2-9,21H,10-11H2,1H3,(H,18,19,22) |
| InChIKey | InChI | 1.03 | HRBBDVCUROQJPS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
