Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCn3c2nc(N1CCCCC1CCO)nc(c2nc3)NCc5nc4c(c(ccc4n5)F)F |
InChI | InChI | 1.03 | InChI=1S/C22H26F2N8O/c1-2-31-12-26-19-20(25-11-16-27-15-7-6-14(23)17(24)18(15)28-16)29-22(30-21(19)31)32-9-4-3-5-13(32)8-10-33/h6-7,12-13,33H,2-5,8-11H2,1H3,(H,27,28)(H,25,29,30)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | HVFVQLFPRQYJTR-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCn1cnc2c(NCc3[nH]c4ccc(F)c(F)c4n3)nc(nc12)N5CCCC[C@H]5CCO |
SMILES | CACTVS | 3.385 | CCn1cnc2c(NCc3[nH]c4ccc(F)c(F)c4n3)nc(nc12)N5CCCC[CH]5CCO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCn1cnc2c1nc(nc2NCc3[nH]c4ccc(c(c4n3)F)F)N5CCCC[C@H]5CCO |
SMILES | OpenEye OEToolkits | 2.0.6 | CCn1cnc2c1nc(nc2NCc3[nH]c4ccc(c(c4n3)F)F)N5CCCCC5CCO |