A1H43
Summary
| Name: | (2~{S})-~{N}-[2-(4-~{tert}-butylphenyl)-4-oxidanylidene-3~{H}-quinazolin-8-yl]-2,3-bis(oxidanyl)propanamide |
| Formula: | C21 H23 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 381.425 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-[2-(4-~{tert}-butylphenyl)-4-oxidanylidene-3~{H}-quinazolin-8-yl]-2,3-bis(oxidanyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H23N3O4/c1-21(2,3)13-9-7-12(8-10-13)18-23-17-14(19(27)24-18)5-4-6-15(17)22-20(28)16(26)11-25/h4-10,16,25-26H,11H2,1-3H3,(H,22,28)(H,23,24,27)/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | QAJQCCUJEOCJCQ-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C2=Nc3c(NC(=O)[C@@H](O)CO)cccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C2=Nc3c(NC(=O)[CH](O)CO)cccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3NC(=O)[C@H](CO)O)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3NC(=O)C(CO)O)C(=O)N2 |
