| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c(c(C#CCc2cc(c1ccncc1)cc(OC)c2)c(nc3N)N)CC |
| InChI | InChI | 1.03 | InChI=1S/C21H21N5O/c1-3-19-18(20(22)26-21(23)25-19)6-4-5-14-11-16(13-17(12-14)27-2)15-7-9-24-10-8-15/h7-13H,3,5H2,1-2H3,(H4,22,23,25,26) |
| InChIKey | InChI | 1.03 | COHGVYNMDPBQFR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccncc3 |
| SMILES | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccncc3 |
