VT3
Summary
| Name: | 8-HYDROXY-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE |
| Formula: | C15 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 252.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(4-methylphenyl)-8-oxidanyl-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19) |
| InChIKey | InChI | 1.03 | MCCQXQRJNJXHRG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)C2=Nc3c(O)cccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)C2=Nc3c(O)cccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2 |
