Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(c2nc(NC(C)C1CC1)nc(n2)NC(C3CC3)C)nc(C(F)(F)F)ccc4 |
InChI | InChI | 1.03 | InChI=1S/C19H23F3N6/c1-10(12-6-7-12)23-17-26-16(14-4-3-5-15(25-14)19(20,21)22)27-18(28-17)24-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,23,24,26,27,28)/t10-,11-/m1/s1 |
InChIKey | InChI | 1.03 | KRSKURCJOGAEOS-GHMZBOCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)c3cccc(n3)C(F)(F)F)C4CC4 |
SMILES | CACTVS | 3.385 | C[CH](Nc1nc(N[CH](C)C2CC2)nc(n1)c3cccc(n3)C(F)(F)F)C4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C1CC1)Nc2nc(nc(n2)N[C@H](C)C3CC3)c4cccc(n4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C1CC1)Nc2nc(nc(n2)NC(C)C3CC3)c4cccc(n4)C(F)(F)F |