| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c(c(C#CCc2cc(c1ccccc1)cc(OC)c2)c(nc3N)N)CC |
| InChI | InChI | 1.03 | InChI=1S/C22H22N4O/c1-3-20-19(21(23)26-22(24)25-20)11-7-8-15-12-17(14-18(13-15)27-2)16-9-5-4-6-10-16/h4-6,9-10,12-14H,3,8H2,1-2H3,(H4,23,24,25,26) |
| InChIKey | InChI | 1.03 | QKLZHVMWTSBUFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccccc3 |
| SMILES | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3 |
