| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#CC5C=C/C(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5 |
| SMILES_CANONICAL | CACTVS | 3.341 | N#CC1C=CC(C=C1)=Nc2nc(Nc3cc([nH]n3)C4CC4)c5ccccc5n2 |
| SMILES | CACTVS | 3.341 | N#CC1C=CC(C=C1)=Nc2nc(Nc3cc([nH]n3)C4CC4)c5ccccc5n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)C#N)Nc4cc([nH]n4)C5CC5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)C#N)Nc4cc([nH]n4)C5CC5 |
| InChI | InChI | 1.03 | InChI=1S/C21H17N7/c22-12-13-5-9-15(10-6-13)23-21-24-17-4-2-1-3-16(17)20(26-21)25-19-11-18(27-28-19)14-7-8-14/h1-6,9-11,13-14H,7-8H2,(H2,24,25,26,27,28)/b23-15- |
| InChIKey | InChI | 1.03 | SEECYRBHJSWALR-HAHDFKILSA-N |
