| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c2ccnc(NCc1ccc(C(=[N@H])N)cc1)c2)c3cccc(c3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(c1)C(=O)c2ccnc(NCc3ccc(cc3)C(N)=N)c2 |
| SMILES | CACTVS | 3.341 | Cc1cccc(c1)C(=O)c2ccnc(NCc3ccc(cc3)C(N)=N)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cccc(c3)C)/N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cccc(c3)C)N |
| InChI | InChI | 1.03 | InChI=1S/C21H20N4O/c1-14-3-2-4-17(11-14)20(26)18-9-10-24-19(12-18)25-13-15-5-7-16(8-6-15)21(22)23/h2-12H,13H2,1H3,(H3,22,23)(H,24,25) |
| InChIKey | InChI | 1.03 | MBJYEMUMDMGQQC-UHFFFAOYSA-N |
