Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc4ccc(c3c1c(nc(nc1NC2CCCCC2)N)nc3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C18H20FN5/c19-12-8-6-11(7-9-12)14-10-21-16-15(14)17(24-18(20)23-16)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H4,20,21,22,23,24) |
InChIKey | InChI | 1.03 | QQJUCGSYNBAQMI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc2[nH]cc(c3ccc(F)cc3)c2c(NC4CCCCC4)n1 |
SMILES | CACTVS | 3.385 | Nc1nc2[nH]cc(c3ccc(F)cc3)c2c(NC4CCCCC4)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F |