Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc4ccc(c1ncn(c1c2nc(ncc2)N)C3CCCCC3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24) |
InChIKey | InChI | 1.03 | WUDBUIUHVNECTM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCCCC4 |
SMILES | CACTVS | 3.370 | Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F |