| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCc1ccc(nc1)NC(=O)Cn1c2ccccc2nc1N |
| InChI | InChI | 1.06 | InChI=1S/C16H17N5O/c1-2-11-7-8-14(18-9-11)20-15(22)10-21-13-6-4-3-5-12(13)19-16(21)17/h3-9H,2,10H2,1H3,(H2,17,19)(H,18,20,22) |
| InChIKey | InChI | 1.06 | DDGFJCBIYRJVAU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccc(NC(=O)Cn2c(N)nc3ccccc23)nc1 |
| SMILES | CACTVS | 3.385 | CCc1ccc(NC(=O)Cn2c(N)nc3ccccc23)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccc(nc1)NC(=O)Cn2c3ccccc3nc2N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccc(nc1)NC(=O)Cn2c3ccccc3nc2N |
