Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc4ccccc4c1nc(c2nccn2c1)NCc3cccnc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccccc1c2cn3ccnc3c(NCc4cccnc4)n2 |
SMILES | CACTVS | 3.341 | Fc1ccccc1c2cn3ccnc3c(NCc4cccnc4)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F |
InChI | InChI | 1.03 | InChI=1S/C18H14FN5/c19-15-6-2-1-5-14(15)16-12-24-9-8-21-18(24)17(23-16)22-11-13-4-3-7-20-10-13/h1-10,12H,11H2,(H,22,23) |
InChIKey | InChI | 1.03 | WCNPGRRMPFCHEO-UHFFFAOYSA-N |