Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1cc(cc(F)c1)C4(Oc3ccc(c2c(nc(nc2N)N)CC)cc3N(C4=O)CCCOC)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCc1nc(N)nc(N)c1c2ccc3O[C@](C)(C(=O)N(CCCOC)c3c2)c4cc(F)cc(F)c4 |
SMILES | CACTVS | 3.341 | CCc1nc(N)nc(N)c1c2ccc3O[C](C)(C(=O)N(CCCOC)c3c2)c4cc(F)cc(F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)[C@](O3)(C)c4cc(cc(c4)F)F)CCCOC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)c4cc(cc(c4)F)F)CCCOC |
InChI | InChI | 1.03 | InChI=1S/C25H27F2N5O3/c1-4-18-21(22(28)31-24(29)30-18)14-6-7-20-19(10-14)32(8-5-9-34-3)23(33)25(2,35-20)15-11-16(26)13-17(27)12-15/h6-7,10-13H,4-5,8-9H2,1-3H3,(H4,28,29,30,31)/t25-/m0/s1 |
InChIKey | InChI | 1.03 | UAXNNGUDPWZOKX-VWLOTQADSA-N |