FQD
Summary
| Name: | 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Formula: | C12 H7 F N2 O S |
| Formal charge: | 0 |
| Formula weight: | 246.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| OpenEye OEToolkits | 2.0.6 | 5-(4-fluorophenyl)-3~{H}-thieno[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(c1ccc(F)cc1)csc3c2C(=O)NC=N3 |
| InChI | InChI | 1.03 | InChI=1S/C12H7FN2OS/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(16)14-6-15-12/h1-6H,(H,14,15,16) |
| InChIKey | InChI | 1.03 | DARIIFLATJJEOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)c2csc3N=CNC(=O)c23 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2csc3N=CNC(=O)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2csc3c2C(=O)NC=N3)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2csc3c2C(=O)NC=N3)F |
