| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1)NCC2=NC=3C(=O)NC(=NC=3NC2)N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC2=C(N=C(CNc3ccc(cc3)C(O)=O)CN2)C(=O)N1 |
| SMILES | CACTVS | 3.370 | NC1=NC2=C(N=C(CNc3ccc(cc3)C(O)=O)CN2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21) |
| InChIKey | InChI | 1.03 | WBFYVDCHGVNRBH-UHFFFAOYSA-N |
