| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cnn2CCNCc12)c1cccc2ncccc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H15N5O/c22-16(12-3-1-5-13-11(12)4-2-6-18-13)20-14-9-19-21-8-7-17-10-15(14)21/h1-6,9,17H,7-8,10H2,(H,20,22) |
| InChIKey | InChI | 1.06 | ALEBBVRGFLOKSV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1cnn2CCNCc12)c3cccc4ncccc34 |
| SMILES | CACTVS | 3.385 | O=C(Nc1cnn2CCNCc12)c3cccc4ncccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c2cccnc2c1)C(=O)Nc3cnn4c3CNCC4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c2cccnc2c1)C(=O)Nc3cnn4c3CNCC4 |
