| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N=C(N)c1ccc(cc1)OCc1cccc(COc2ccc(cc2)C(=N)N)n1 |
| InChI | InChI | 1.06 | InChI=1S/C21H21N5O2/c22-20(23)14-4-8-18(9-5-14)27-12-16-2-1-3-17(26-16)13-28-19-10-6-15(7-11-19)21(24)25/h1-11H,12-13H2,(H3,22,23)(H3,24,25) |
| InChIKey | InChI | 1.06 | UDMQJIVHWQYKTJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3)C(N)=N)n2)cc1 |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3)C(N)=N)n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/c1ccc(cc1)OCc2nc(ccc2)COc3ccc(cc3)/C(=N\[H])/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(nc(c1)COc2ccc(cc2)C(=N)N)COc3ccc(cc3)C(=N)N |
