PC0
Summary
| Name: | 1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA |
| Formula: | C16 H19 F N4 O S |
| Formal charge: | 0 |
| Formula weight: | 334.412 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)thiourea |
| OpenEye OEToolkits | 1.5.0 | 3-[2-(4-ethoxy-3-fluoro-pyridin-2-yl)ethyl]-1-(5-methylpyridin-2-yl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C(Nc1ncc(cc1)C)NCCc2nccc(OCC)c2F |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOc1ccnc(CCNC(=S)Nc2ccc(C)cn2)c1F |
| SMILES | CACTVS | 3.341 | CCOc1ccnc(CCNC(=S)Nc2ccc(C)cn2)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C |
| InChI | InChI | 1.03 | InChI=1S/C16H19FN4OS/c1-3-22-13-7-9-18-12(15(13)17)6-8-19-16(23)21-14-5-4-11(2)10-20-14/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,19,20,21,23) |
| InChIKey | InChI | 1.03 | QOVMZMFNTIUFLU-UHFFFAOYSA-N |
