| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(Nc1c(ccc(c1)Nc3ncnc(c2ccccc2)c3)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(Nc2cc(ncn2)c3ccccc3)cc1N[S](C)(=O)=O |
| SMILES | CACTVS | 3.341 | Cc1ccc(Nc2cc(ncn2)c3ccccc3)cc1N[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1NS(=O)(=O)C)Nc2cc(ncn2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1NS(=O)(=O)C)Nc2cc(ncn2)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H18N4O2S/c1-13-8-9-15(10-16(13)22-25(2,23)24)21-18-11-17(19-12-20-18)14-6-4-3-5-7-14/h3-12,22H,1-2H3,(H,19,20,21) |
| InChIKey | InChI | 1.03 | CXQRKICWSCAUGW-UHFFFAOYSA-N |
