Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cnc(nc1)C(Oc3nc(nc(N2CCOCC2)c3F)Nc4cc(nn4)C)C |
InChI | InChI | 1.03 | InChI=1S/C18H20F2N8O2/c1-10-7-13(27-26-10)23-18-24-16(28-3-5-29-6-4-28)14(20)17(25-18)30-11(2)15-21-8-12(19)9-22-15/h7-9,11H,3-6H2,1-2H3,(H2,23,24,25,26,27)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | NFYAORHLODKCQX-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Oc1nc(Nc2[nH]nc(C)c2)nc(N3CCOCC3)c1F)c4ncc(F)cn4 |
SMILES | CACTVS | 3.385 | C[CH](Oc1nc(Nc2[nH]nc(C)c2)nc(N3CCOCC3)c1F)c4ncc(F)cn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc([nH]n1)Nc2nc(c(c(n2)O[C@@H](C)c3ncc(cn3)F)F)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc([nH]n1)Nc2nc(c(c(n2)OC(C)c3ncc(cn3)F)F)N4CCOCC4 |