| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)c3cc2nc(c1ncncc1c2cc3)Nc4cc(C#C)ccc4 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc2c(c1)nc(Nc3cccc(c3)C#C)c4ncncc24 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc2c(c1)nc(Nc3cccc(c3)C#C)c4ncncc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26) |
| InChIKey | InChI | 1.03 | HJGFPNFAFSFDNN-UHFFFAOYSA-N |
