| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1CC)CSc3nc2cccnc2n3 |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4OS/c1-2-11-6-3-4-7-12(11)18-14(21)10-22-16-19-13-8-5-9-17-15(13)20-16/h3-9H,2,10H2,1H3,(H,18,21)(H,17,19,20) |
| InChIKey | InChI | 1.03 | LGTSSAOGGPBTGN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1ccccc1NC(=O)CSc2[nH]c3ncccc3n2 |
| SMILES | CACTVS | 3.370 | CCc1ccccc1NC(=O)CSc2[nH]c3ncccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1ccccc1NC(=O)CSc2[nH]c3c(n2)cccn3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1ccccc1NC(=O)CSc2[nH]c3c(n2)cccn3 |
