Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(OC)ccccc1C(CNc2n4c(nc(C)c2)nc(NC(CC#N)c3cc(ccc3)Cl)n4)N |
InChI | InChI | 1.03 | InChI=1S/C24H25ClN8O/c1-15-12-22(28-14-19(27)18-8-3-4-9-21(18)34-2)33-24(29-15)31-23(32-33)30-20(10-11-26)16-6-5-7-17(25)13-16/h3-9,12-13,19-20,28H,10,14,27H2,1-2H3,(H,30,32)/t19-,20-/m1/s1 |
InChIKey | InChI | 1.03 | TVYFBBBTUXLKKX-WOJBJXKFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1[C@H](N)CNc2cc(C)nc3nc(N[C@H](CC#N)c4cccc(Cl)c4)nn23 |
SMILES | CACTVS | 3.385 | COc1ccccc1[CH](N)CNc2cc(C)nc3nc(N[CH](CC#N)c4cccc(Cl)c4)nn23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(n2c(n1)nc(n2)N[C@H](CC#N)c3cccc(c3)Cl)NC[C@H](c4ccccc4OC)N |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(n2c(n1)nc(n2)NC(CC#N)c3cccc(c3)Cl)NCC(c4ccccc4OC)N |