| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Cc1nc(NC(NCCOCCC(C)(C)C)=O)sc1C#Cc2ccncc2 |
| InChI | InChI | 1.03 | InChI=1S/C20H26N4O2S/c1-15-17(6-5-16-7-10-21-11-8-16)27-19(23-15)24-18(25)22-12-14-26-13-9-20(2,3)4/h7-8,10-11H,9,12-14H2,1-4H3,(H2,22,23,24,25) |
| InChIKey | InChI | 1.03 | LLAXZOBGRHVCCF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(NC(=O)NCCOCCC(C)(C)C)sc1C#Cc2ccncc2 |
| SMILES | CACTVS | 3.385 | Cc1nc(NC(=O)NCCOCCC(C)(C)C)sc1C#Cc2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)NC(=O)NCCOCCC(C)(C)C)C#Cc2ccncc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)NC(=O)NCCOCCC(C)(C)C)C#Cc2ccncc2 |
