Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cccc(c1)F)c2cc(c(cc2)Cl)COc4cc(nc3c4nnn3)N |
InChI | InChI | 1.03 | InChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25) |
InChIKey | InChI | 1.03 | ZMHGTFZMJCIDLN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(OCc2cc(ccc2Cl)c3cccc(F)c3)c4[nH]nnc4n1 |
SMILES | CACTVS | 3.385 | Nc1cc(OCc2cc(ccc2Cl)c3cccc(F)c3)c4[nH]nnc4n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)F)c2ccc(c(c2)COc3cc(nc4c3[nH]nn4)N)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)F)c2ccc(c(c2)COc3cc(nc4c3[nH]nn4)N)Cl |