| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)C(CO)Nc1ncnc2[NH]c(cc21)c1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C15H18N4OS/c1-9(2)12(7-20)19-15-10-6-11(13-4-3-5-21-13)18-14(10)16-8-17-15/h3-6,8-9,12,20H,7H2,1-2H3,(H2,16,17,18,19)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | CIWCMSZNZAATFB-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](CO)Nc1ncnc2[nH]c(cc12)c3sccc3 |
| SMILES | CACTVS | 3.385 | CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cccs3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c3cccs3 |
