7JD
Summary
| Name: | 6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
| Synonyms: | 6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one |
| Formula: | C14 H9 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 256.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H9FN2O2/c15-10-3-1-8(2-4-10)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h1-7,18H,(H,16,17,19) |
| InChIKey | InChI | 1.03 | MVFBYXBGOWGDLX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(cc2C(=O)NC=Nc12)c3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | Oc1cc(cc2C(=O)NC=Nc12)c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc3c(c(c2)O)N=CNC3=O)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc3c(c(c2)O)N=CNC3=O)F |
