| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)c2c(nc1ccccc1c2)C3=NC(C(=O)N3)(C(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@@]1(C)N=C(NC1=O)c2nc3ccccc3cc2C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)[C]1(C)N=C(NC1=O)c2nc3ccccc3cc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@]1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | CABMTIJINOIHOD-QGZVFWFLSA-N |
