| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n4c(c(C#CC(c3cc(c2c1ccncc1ccc2)cc(OC)c3)C)c(nc4N)N)CC |
| InChI | InChI | 1.03 | InChI=1S/C26H25N5O/c1-4-24-23(25(27)31-26(28)30-24)9-8-16(2)18-12-19(14-20(13-18)32-3)21-7-5-6-17-15-29-11-10-22(17)21/h5-7,10-16H,4H2,1-3H3,(H4,27,28,30,31)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | MGLLCDAARSVGLO-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#C[C@@H](C)c2cc(OC)cc(c2)c3cccc4cnccc34 |
| SMILES | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(OC)cc(c2)c3cccc4cnccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3cccc4c3ccnc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(cc(c2)OC)c3cccc4c3ccnc4 |
