Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C3N(C(=NC3(c2cc(c1cncnc1)c(F)cc2)c4ccc(OC(F)(F)F)cc4)N)C |
SMILES_CANONICAL | CACTVS | 3.352 | CN1C(=N[C@](C1=O)(c2ccc(OC(F)(F)F)cc2)c3ccc(F)c(c3)c4cncnc4)N |
SMILES | CACTVS | 3.352 | CN1C(=N[C](C1=O)(c2ccc(OC(F)(F)F)cc2)c3ccc(F)c(c3)c4cncnc4)N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F |
SMILES | OpenEye OEToolkits | 1.7.0 | CN1C(=O)C(N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F |
InChI | InChI | 1.03 | InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | RNJTYVPMRSKRKE-HXUWFJFHSA-N |