Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc5ccc(c1nn2c(nnc2nc1)Cc4cc3cccnc3cc4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C20H13FN6/c21-16-6-4-14(5-7-16)18-12-23-20-25-24-19(27(20)26-18)11-13-3-8-17-15(10-13)2-1-9-22-17/h1-10,12H,11H2 |
InChIKey | InChI | 1.03 | KKIVWQQSFDGQSG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2 |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2cc(ccc2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)F |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2cc(ccc2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)F |