| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | C(#CC(c2cc(c1ccccc1)cc(OC)c2)C)c3c(nc(nc3C)N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(cc(c1)c2ccccc2)[C@@H](C)C#Cc3c(C)nc(N)nc3N |
| SMILES | CACTVS | 3.341 | COc1cc(cc(c1)c2ccccc2)[CH](C)C#Cc3c(C)nc(N)nc3N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc(c2)OC)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | JPENSYBRTSIYGO-AWEZNQCLSA-N |
