| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1nc(cs1)C1CC1)c1n[NH]c2ncccc21 |
| InChI | InChI | 1.06 | InChI=1S/C14H13N5OS/c20-14(12-9-2-1-5-15-13(9)19-18-12)16-6-11-17-10(7-21-11)8-3-4-8/h1-2,5,7-8H,3-4,6H2,(H,16,20)(H,15,18,19) |
| InChIKey | InChI | 1.06 | NPIYFDZRXNUFFI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1scc(n1)C2CC2)c3n[nH]c4ncccc34 |
| SMILES | CACTVS | 3.385 | O=C(NCc1scc(n1)C2CC2)c3n[nH]c4ncccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(n[nH]c2nc1)C(=O)NCc3nc(cs3)C4CC4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(n[nH]c2nc1)C(=O)NCc3nc(cs3)C4CC4 |
