Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c3cc(c1ccc2nc(cn2c1)NC(=O)C)cnc3N |
InChI | InChI | 1.03 | InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24) |
InChIKey | InChI | 1.03 | TVUPSIBSWDXJGQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)Nc1cn2cc(ccc2n1)c3cnc(N)c(c3)C(F)(F)F |
SMILES | CACTVS | 3.370 | CC(=O)Nc1cn2cc(ccc2n1)c3cnc(N)c(c3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F |