| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1nn(C)cc1SC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C12H19N5O2S/c1-16-7-9(20-2)11(15-16)14-12(19)17-5-3-4-8(6-17)10(13)18/h7-8H,3-6H2,1-2H3,(H2,13,18)(H,14,15,19)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | XJTLXYFPHTXJQS-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1cn(C)nc1NC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1cn(C)nc1NC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1cc(c(n1)NC(=O)N2CCC[C@@H](C2)C(=O)N)SC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1cc(c(n1)NC(=O)N2CCCC(C2)C(=O)N)SC |
