| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1nn(C)c(SC)c1NC(=O)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H21N5O2S/c1-8-10(12(21-3)17(2)16-8)15-13(20)18-6-4-5-9(7-18)11(14)19/h9H,4-7H2,1-3H3,(H2,14,19)(H,15,20)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | FQKAQMHJXGTAAH-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1n(C)nc(C)c1NC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1n(C)nc(C)c1NC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(n(n1)C)SC)NC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(n(n1)C)SC)NC(=O)N2CCCC(C2)C(=O)N |
