Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(c(F)cnc1)Nc4c2c(ncc2)nc(c3cccc(C(F)(F)F)n3)n4 |
InChI | InChI | 1.03 | InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27) |
InChIKey | InChI | 1.03 | KNTWBIUWHSYQJE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cnccc1Nc2nc(nc3[nH]ccc23)c4cccc(n4)C(F)(F)F |
SMILES | CACTVS | 3.385 | Fc1cnccc1Nc2nc(nc3[nH]ccc23)c4cccc(n4)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(nc(c1)C(F)(F)F)c2nc3c(cc[nH]3)c(n2)Nc4ccncc4F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(nc(c1)C(F)(F)F)c2nc3c(cc[nH]3)c(n2)Nc4ccncc4F |