Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(cc1N(c3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3)CC#N)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C[C@@H](O)COc1ccc(Nc2cc(ncn2)N(CC#N)c3cc(C)ccc3Cl)cc1 |
SMILES | CACTVS | 3.341 | CN(C)C[CH](O)COc1ccc(Nc2cc(ncn2)N(CC#N)c3cc(C)ccc3Cl)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OCC(CN(C)C)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H27ClN6O2/c1-17-4-9-21(25)22(12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | FIRZNFNHYVXQPP-LJQANCHMSA-N |