Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Nc1ncc(cn1)NC(=O)NC(c1oc2c(F)cc(F)cc2c1C)C(F)(F)F |
InChI | InChI | 1.06 | InChI=1S/C16H12F5N5O2/c1-6-9-2-7(17)3-10(18)12(9)28-11(6)13(16(19,20)21)26-15(27)25-8-4-23-14(22)24-5-8/h2-5,13H,1H3,(H2,22,23,24)(H2,25,26,27)/t13-/m1/s1 |
InChIKey | InChI | 1.06 | LGPNQALKGDDVBD-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(oc2c(F)cc(F)cc12)[C@@H](NC(=O)Nc3cnc(N)nc3)C(F)(F)F |
SMILES | CACTVS | 3.385 | Cc1c(oc2c(F)cc(F)cc12)[CH](NC(=O)Nc3cnc(N)nc3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(cc(c2oc1[C@H](C(F)(F)F)NC(=O)Nc3cnc(nc3)N)F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(cc(c2oc1C(C(F)(F)F)NC(=O)Nc3cnc(nc3)N)F)F |