| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H23N9O2S/c1-28(2)33(31,32)30-13-14(11-24-30)17-18(22)23-12-16(25-17)19-26-20(29(3)27-19)21(9-10-21)15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3,(H2,22,23) |
| InChIKey | InChI | 1.03 | GMLLOWVABPADNX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[S](=O)(=O)n1cc(cn1)c2nc(cnc2N)c3nn(C)c(n3)C4(CC4)c5ccccc5 |
| SMILES | CACTVS | 3.385 | CN(C)[S](=O)(=O)n1cc(cn1)c2nc(cnc2N)c3nn(C)c(n3)C4(CC4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)S(=O)(=O)N(C)C)N)C4(CC4)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)S(=O)(=O)N(C)C)N)C4(CC4)c5ccccc5 |
