7JH
Summary
| Name: | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one |
| Synonyms: | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-hydroxy-3H-quinazolin-4-one |
| Formula: | C13 H11 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 273.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11N3O2S/c1-6-12(19-7(2)16-6)8-3-9-11(10(17)4-8)14-5-15-13(9)18/h3-5,17H,1-2H3,(H,14,15,18) |
| InChIKey | InChI | 1.03 | FCTDLOYVTPYHMT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(c(C)n1)c2cc(O)c3N=CNC(=O)c3c2 |
| SMILES | CACTVS | 3.385 | Cc1sc(c(C)n1)c2cc(O)c3N=CNC(=O)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(sc(n1)C)c2cc3c(c(c2)O)N=CNC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(sc(n1)C)c2cc3c(c(c2)O)N=CNC3=O |
