| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc1ccc(cc1)C(=O)NCCc2nc(N)cc(c2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(N)nc(CCNC(=O)c2ccc(cc2)C#N)c1 |
| SMILES | CACTVS | 3.341 | Cc1cc(N)nc(CCNC(=O)c2ccc(cc2)C#N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4O/c1-11-8-14(20-15(18)9-11)6-7-19-16(21)13-4-2-12(10-17)3-5-13/h2-5,8-9H,6-7H2,1H3,(H2,18,20)(H,19,21) |
| InChIKey | InChI | 1.03 | QINCZVSBLITNRD-UHFFFAOYSA-N |
