9A8
Summary
| Name: | 2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one |
| Formula: | C17 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 280.321 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2O2/c1-11(2)21-13-9-7-12(8-10-13)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11H,1-2H3,(H,18,19,20) |
| InChIKey | InChI | 1.03 | COESBKQDPONYFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
