| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1)NC(=O)CSc3nc2C(=O)NC(=Nc2n3C)N |
| InChI | InChI | 1.03 | InChI=1S/C14H14N6O2S/c1-20-11-10(12(22)19-13(15)18-11)17-14(20)23-7-9(21)16-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,21)(H3,15,18,19,22) |
| InChIKey | InChI | 1.03 | ZDOIVRCQPDEDGR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(SCC(=O)Nc2ccccc2)nc3C(=O)NC(=Nc13)N |
| SMILES | CACTVS | 3.385 | Cn1c(SCC(=O)Nc2ccccc2)nc3C(=O)NC(=Nc13)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c2c(nc1SCC(=O)Nc3ccccc3)C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c2c(nc1SCC(=O)Nc3ccccc3)C(=O)NC(=N2)N |
