| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CCCCNC(=O)O)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCCCNC(O)=O)c2cc1C |
| SMILES | CACTVS | 3.341 | Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCCCNC(O)=O)c2cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCNC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCNC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H19N5O4/c1-9-7-11-12(8-10(9)2)22(6-4-3-5-18-17(25)26)14-13(19-11)15(23)21-16(24)20-14/h7-8,18H,3-6H2,1-2H3,(H,25,26)(H,21,23,24) |
| InChIKey | InChI | 1.03 | PXQGNCDJBRBLMJ-UHFFFAOYSA-N |
