| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)c1ccc(cc1)NCCC2=NC=3C(=O)NC(=NC=3NC2)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC2=C(N=C(CCNc3ccc(cc3)C(O)=O)CN2)C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=NC2=C(N=C(CCNc3ccc(cc3)C(O)=O)CN2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)O)NCCC2=NC3=C(NC2)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)O)NCCC2=NC3=C(NC2)N=C(NC3=O)N |
| InChI | InChI | 1.03 | InChI=1S/C15H16N6O3/c16-15-20-12-11(13(22)21-15)19-10(7-18-12)5-6-17-9-3-1-8(2-4-9)14(23)24/h1-4,17H,5-7H2,(H,23,24)(H4,16,18,20,21,22) |
| InChIKey | InChI | 1.03 | KCMJLKPNBXLNNJ-UHFFFAOYSA-N |
