| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c3ccc(N(Cc1nc2c(nc1)nc(nc2N)N)C)cc3)N4CCC(C(=O)OC)CC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(C)Cc3cnc4nc(N)nc(N)c4n3 |
| SMILES | CACTVS | 3.341 | COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(C)Cc3cnc4nc(N)nc(N)c4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28) |
| InChIKey | InChI | 1.03 | UKCFUFHREWUXJJ-UHFFFAOYSA-N |
