| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=CC=2C1=Nc3c(ncc(c3OC1=C(C(=O)C=2N)C)C)C=O |
| InChI | InChI | 1.06 | InChI=1S/C15H11N3O6/c1-4-3-17-10(15(22)23)9-12(4)24-13-5(2)11(19)7(16)6(14(20)21)8(13)18-9/h3H,16H2,1-2H3,(H,20,21)(H,22,23) |
| InChIKey | InChI | 1.06 | HKYXOCMZOYRJAU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12 |
| SMILES | CACTVS | 3.385 | Cc1cnc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O |
