| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1nccs1)c4ccc(NCC3=NC2=C(N=C(N)NC2=O)NC3)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C16H16N8O3S2/c17-15-22-13-12(14(25)23-15)21-10(8-20-13)7-19-9-1-3-11(4-2-9)29(26,27)24-16-18-5-6-28-16/h1-6,19H,7-8H2,(H,18,24)(H4,17,20,22,23,25) |
| InChIKey | InChI | 1.03 | XKJZNFKQXDBJHJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC2=C(N=C(CNc3ccc(cc3)[S](=O)(=O)Nc4sccn4)CN2)C(=O)N1 |
| SMILES | CACTVS | 3.370 | NC1=NC2=C(N=C(CNc3ccc(cc3)[S](=O)(=O)Nc4sccn4)CN2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4 |
