| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n4c(c(C#CCc3cc(c2c1ccncc1ccc2)cc(OC)c3)c(nc4N)N)CC |
| InChI | InChI | 1.03 | InChI=1S/C25H23N5O/c1-3-23-22(24(26)30-25(27)29-23)9-4-6-16-12-18(14-19(13-16)31-2)20-8-5-7-17-15-28-11-10-21(17)20/h5,7-8,10-15H,3,6H2,1-2H3,(H4,26,27,29,30) |
| InChIKey | InChI | 1.03 | IZQBFFXMDOOSIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3cccc4cnccc34 |
| SMILES | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3cccc4cnccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4 |
