| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26) |
| InChIKey | InChI | 1.03 | OTPKNUJKFUZRDR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CN(CC2(CCCC2)n3ccc4cccnc34)C=C(O)C1=O |
| SMILES | CACTVS | 3.385 | OC(=O)C1=CN(CC2(CCCC2)n3ccc4cccnc34)C=C(O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O |
