| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nnc2SCCn12)c3ccc(cc3)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H18N4OS/c1-15(2,3)11-6-4-10(5-7-11)12(20)16-13-17-18-14-19(13)8-9-21-14/h4-7H,8-9H2,1-3H3,(H,16,17,20) |
| InChIKey | InChI | 1.03 | VNFVQSRTHCEODA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3SCCn23 |
| SMILES | CACTVS | 3.370 | CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3SCCn23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3 |
