Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1nc3n(nc(c3c2cc(cc(c12)OC)F)c4ccncc4C)C |
InChI | InChI | 1.03 | InChI=1S/C17H14FN5O/c1-9-8-19-5-4-11(9)16-14-12-6-10(18)7-13(24-3)15(12)20-21-17(14)23(2)22-16/h4-8H,1-3H3 |
InChIKey | InChI | 1.03 | BEHIYTQDLXFKJV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(F)cc2c1nnc3n(C)nc(c4ccncc4C)c23 |
SMILES | CACTVS | 3.385 | COc1cc(F)cc2c1nnc3n(C)nc(c4ccncc4C)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F |