Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1nc2ccc(nn2c1C)CCc1nc(cn1C)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C20H18F3N5/c1-13-19(20(21,22)23)25-18-11-9-15(26-28(13)18)8-10-17-24-16(12-27(17)2)14-6-4-3-5-7-14/h3-7,9,11-12H,8,10H2,1-2H3 |
InChIKey | InChI | 1.03 | KCTAYNOHWHMWOI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1CCc2ccc3nc(c(C)n3n2)C(F)(F)F)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cn1cc(nc1CCc2ccc3nc(c(C)n3n2)C(F)(F)F)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2n1nc(cc2)CCc3nc(cn3C)c4ccccc4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2n1nc(cc2)CCc3nc(cn3C)c4ccccc4)C(F)(F)F |