| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1cncnc1SC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H18N4O2S/c1-20-13-10(6-15-8-16-13)5-11(18)17-4-2-3-9(7-17)12(14)19/h6,8-9H,2-5,7H2,1H3,(H2,14,19)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | VHSVZDNSBFAAEB-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ncncc1CC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1ncncc1CC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1c(cncn1)CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1c(cncn1)CC(=O)N2CCCC(C2)C(=O)N |
