| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc([NH]n1)c1ccccn1)c1c(cnn1C)C(=O)N1CCC1 |
| InChI | InChI | 1.03 | InChI=1S/C17H17N7O2/c1-23-15(11(10-19-23)17(26)24-7-4-8-24)16(25)20-14-9-13(21-22-14)12-5-2-3-6-18-12/h2-3,5-6,9-10H,4,7-8H2,1H3,(H2,20,21,22,25) |
| InChIKey | InChI | 1.03 | QDVCDECQBDYFIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cc([nH]n3)c4ccccn4 |
| SMILES | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cc([nH]n3)c4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cc([nH]n3)c4ccccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cc([nH]n3)c4ccccn4 |
