| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | N#Cc1n(C)ncc1c1cc2c([NH]1)ncnc2NN1C(=O)OCC21CCN(CC2)S(C)(=O)=O |
| InChI | InChI | 1.06 | InChI=1S/C19H21N9O4S/c1-26-15(8-20)13(9-23-26)14-7-12-16(24-14)21-11-22-17(12)25-28-18(29)32-10-19(28)3-5-27(6-4-19)33(2,30)31/h7,9,11H,3-6,10H2,1-2H3,(H2,21,22,24,25) |
| InChIKey | InChI | 1.06 | HLVQNOZEPMHQPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(c2[nH]c3ncnc(NN4C(=O)OCC45CCN(CC5)[S](C)(=O)=O)c3c2)c1C#N |
| SMILES | CACTVS | 3.385 | Cn1ncc(c2[nH]c3ncnc(NN4C(=O)OCC45CCN(CC5)[S](C)(=O)=O)c3c2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1c(c(cn1)c2cc3c([nH]2)ncnc3NN4C(=O)OCC45CCN(CC5)S(=O)(=O)C)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1c(c(cn1)c2cc3c([nH]2)ncnc3NN4C(=O)OCC45CCN(CC5)S(=O)(=O)C)C#N |
