| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H17N5O3/c27-19(18-14-23-21(25-20(18)28)26-12-4-11-24-26)22-13-15-7-9-17(10-8-15)29-16-5-2-1-3-6-16/h1-12,14H,13H2,(H,22,27)(H,23,25,28) |
| InChIKey | InChI | 1.03 | WBANHLSPTRNPCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1nc(ncc1C(=O)NCc2ccc(Oc3ccccc3)cc2)n4cccn4 |
| SMILES | CACTVS | 3.385 | Oc1nc(ncc1C(=O)NCc2ccc(Oc3ccccc3)cc2)n4cccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(nc3O)n4cccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(nc3O)n4cccn4 |
