| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N2=C(c4ccccc4N=C(N1CC(O)C1)C2c3sccc3)c5ccccc5 |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@H]1CN(C1)C2=Nc3ccccc3C(=N[C@@H]2c4sccc4)c5ccccc5 |
| SMILES | CACTVS | 3.352 | O[CH]1CN(C1)C2=Nc3ccccc3C(=N[CH]2c4sccc4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C2=N[C@@H](C(=Nc3c2cccc3)N4CC(C4)O)c5cccs5 |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C2=NC(C(=Nc3c2cccc3)N4CC(C4)O)c5cccs5 |
| InChI | InChI | 1.03 | InChI=1S/C22H19N3OS/c26-16-13-25(14-16)22-21(19-11-6-12-27-19)24-20(15-7-2-1-3-8-15)17-9-4-5-10-18(17)23-22/h1-12,16,21,26H,13-14H2/t21-/m1/s1 |
| InChIKey | InChI | 1.03 | BKSGACYTXOQQNI-OAQYLSRUSA-N |
