Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1c(c(F)ccc1)c2nc(cs2)C(=O)Nc4c(OC3CCNC3)ccnc4 |
InChI | InChI | 1.03 | InChI=1S/C19H16F2N4O2S/c20-12-2-1-3-13(21)17(12)19-25-15(10-28-19)18(26)24-14-9-23-7-5-16(14)27-11-4-6-22-8-11/h1-3,5,7,9-11,22H,4,6,8H2,(H,24,26)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | DNXZIJKGPFJRAA-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(F)c1c2scc(n2)C(=O)Nc3cnccc3O[C@H]4CCNC4 |
SMILES | CACTVS | 3.385 | Fc1cccc(F)c1c2scc(n2)C(=O)Nc3cnccc3O[CH]4CCNC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3O[C@H]4CCNC4)F |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCNC4)F |