| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c(c(C#CC(c2cc(c1ccncc1)cc(OC)c2)C)c(nc3N)N)CC |
| InChI | InChI | 1.03 | InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | KEPLBUUTAQCZOE-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#C[C@@H](C)c2cc(OC)cc(c2)c3ccncc3 |
| SMILES | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(OC)cc(c2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc(c2)OC)c3ccncc3 |
