Q4E
Summary
| Name: | 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one |
| Formula: | C16 H16 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 333.836 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16ClN3OS/c1-16(2,3)15-19-11(8-22-15)7-20-9-18-13-5-4-10(17)6-12(13)14(20)21/h4-6,8-9H,7H2,1-3H3 |
| InChIKey | InChI | 1.03 | FGNPKMRRBOIDGA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl |
