| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cn(C)nc1)c1ccccc1c1ccc(NC)nc1 |
| InChI | InChI | 1.06 | InChI=1S/C17H17N5O/c1-18-16-8-7-12(9-19-16)14-5-3-4-6-15(14)17(23)21-13-10-20-22(2)11-13/h3-11H,1-2H3,(H,18,19)(H,21,23) |
| InChIKey | InChI | 1.06 | WDDHZWPWZGDUBC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ccc(cn1)c2ccccc2C(=O)Nc3cnn(C)c3 |
| SMILES | CACTVS | 3.385 | CNc1ccc(cn1)c2ccccc2C(=O)Nc3cnn(C)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CNc1ccc(cn1)c2ccccc2C(=O)Nc3cnn(c3)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNc1ccc(cn1)c2ccccc2C(=O)Nc3cnn(c3)C |
