A1H42
Summary
| Name: | 8-[bis(oxidanyl)amino]-2-(4-~{tert}-butylphenyl)-3~{H}-quinazolin-4-one |
| Formula: | C18 H19 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 325.362 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-[bis(oxidanyl)amino]-2-(4-~{tert}-butylphenyl)-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H19N3O3/c1-18(2,3)12-9-7-11(8-10-12)16-19-15-13(17(22)20-16)5-4-6-14(15)21(23)24/h4-10,23-24H,1-3H3,(H,19,20,22) |
| InChIKey | InChI | 1.06 | FNEBRGXJZPEDQK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)N(O)O |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)N(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3N(O)O)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3N(O)O)C(=O)N2 |
