| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3C#N |
| InChI | InChI | 1.03 | InChI=1S/C18H13N5O2/c19-11-13-3-1-2-4-15(13)22-16-9-10-20-18(23-16)21-14-7-5-12(6-8-14)17(24)25/h1-10H,(H,24,25)(H2,20,21,22,23) |
| InChIKey | InChI | 1.03 | MEKVNSMGVQRYJI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O |
