Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(N3C(N(C1CC1)c2c3cncc2)=O)c5n(CCCC(F)(F)F)c4c(nc(Cl)cc4)n5 |
InChI | InChI | 1.03 | InChI=1S/C20H18ClF3N6O/c21-16-5-4-14-18(26-16)27-17(28(14)9-1-7-20(22,23)24)11-29-15-10-25-8-6-13(15)30(19(29)31)12-2-3-12/h4-6,8,10,12H,1-3,7,9,11H2 |
InChIKey | InChI | 1.03 | LFTDMBPFJHQLEH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5nc(Cl)ccc15 |
SMILES | CACTVS | 3.385 | FC(F)(F)CCCn1c(CN2C(=O)N(C3CC3)c4ccncc24)nc5nc(Cl)ccc15 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(nc2c1n(c(n2)CN3c4cnccc4N(C3=O)C5CC5)CCCC(F)(F)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(nc2c1n(c(n2)CN3c4cnccc4N(C3=O)C5CC5)CCCC(F)(F)F)Cl |