| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | n3c2c(c(Sc1ccc(cc1)C(C)(C)C)ccc2)c(nc3N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 |
| SMILES | CACTVS | 3.341 | CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N |
| InChI | InChI | 1.03 | InChI=1S/C18H20N4S/c1-18(2,3)11-7-9-12(10-8-11)23-14-6-4-5-13-15(14)16(19)22-17(20)21-13/h4-10H,1-3H3,(H4,19,20,21,22) |
| InChIKey | InChI | 1.03 | MNYDVPDMLAJJPB-UHFFFAOYSA-N |
