| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N#Cc2ccc3nc(Nc1ccc(cc1)C(C)(C)C)nc3c2 |
| InChI | InChI | 1.03 | InChI=1S/C18H18N4/c1-18(2,3)13-5-7-14(8-6-13)20-17-21-15-9-4-12(11-19)10-16(15)22-17/h4-10H,1-3H3,(H2,20,21,22) |
| InChIKey | InChI | 1.03 | BQPYYTDDPDJCGA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)c1ccc(Nc2[nH]c3cc(ccc3n2)C#N)cc1 |
| SMILES | CACTVS | 3.370 | CC(C)(C)c1ccc(Nc2[nH]c3cc(ccc3n2)C#N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N |
