| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCCCC1Nc1ncnc2ccsc12 |
| InChI | InChI | 1.06 | InChI=1S/C13H16N4OS/c14-12(18)8-3-1-2-4-9(8)17-13-11-10(5-6-19-11)15-7-16-13/h5-9H,1-4H2,(H2,14,18)(H,15,16,17)/t8-,9+/m1/s1 |
| InChIKey | InChI | 1.06 | NBDCRVNEXGIXAL-BDAKNGLRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@@H]1CCCC[C@@H]1Nc2ncnc3ccsc23 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCC[CH]1Nc2ncnc3ccsc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1csc2c1ncnc2N[C@H]3CCCC[C@H]3C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1csc2c1ncnc2NC3CCCCC3C(=O)N |
