| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1cccc(c1)CN(C)C)Nc2cccc(c2)c3nnnn3 |
| InChI | InChI | 1.03 | InChI=1S/C17H18N6O/c1-23(2)11-12-5-3-7-14(9-12)17(24)18-15-8-4-6-13(10-15)16-19-21-22-20-16/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22) |
| InChIKey | InChI | 1.03 | YNFKRUNLXWQDEZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3 |
| SMILES | CACTVS | 3.370 | CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3 |
