Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(=O)Nc1cccc(c1)OCCCOc1ncnc2scc(c12)c1ccc(F)cc1 |
InChI | InChI | 1.03 | InChI=1S/C23H20FN3O3S/c1-15(28)27-18-4-2-5-19(12-18)29-10-3-11-30-22-21-20(13-31-23(21)26-14-25-22)16-6-8-17(24)9-7-16/h2,4-9,12-14H,3,10-11H2,1H3,(H,27,28) |
InChIKey | InChI | 1.03 | XDPJVACQLSQIPI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cccc(OCCCOc2ncnc3scc(c4ccc(F)cc4)c23)c1 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1cccc(OCCCOc2ncnc3scc(c4ccc(F)cc4)c23)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)OCCCOc2c3c(csc3ncn2)c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)OCCCOc2c3c(csc3ncn2)c4ccc(cc4)F |