| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O1c2ccc(cc2OC1)c3cc(cc(OC)c3)CC#Cc4c(nc(nc4N)N)CC |
| InChI | InChI | 1.03 | InChI=1S/C23H22N4O3/c1-3-19-18(22(24)27-23(25)26-19)6-4-5-14-9-16(11-17(10-14)28-2)15-7-8-20-21(12-15)30-13-29-20/h7-12H,3,5,13H2,1-2H3,(H4,24,25,26,27) |
| InChIKey | InChI | 1.03 | DEWBMLVREOXAJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccc4OCOc4c3 |
| SMILES | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccc4OCOc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc4c(c3)OCO4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc4c(c3)OCO4 |
