7JU
Summary
| Name: | 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
| Synonyms: | 7-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one |
| Formula: | C14 H8 F2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 274.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H8F2N2O2/c15-8-3-1-7(2-4-8)9-5-10-12(13(19)11(9)16)17-6-18-14(10)20/h1-6,19H,(H,17,18,20) |
| InChIKey | InChI | 1.03 | UPRNZWUAFGVMOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(F)c(cc2C(=O)NC=Nc12)c3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | Oc1c(F)c(cc2C(=O)NC=Nc12)c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc3c(c(c2F)O)N=CNC3=O)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc3c(c(c2F)O)N=CNC3=O)F |
