| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n1c(c2c(nc1N)nc(c2c3ccccc3)c4ccccc4)N |
| InChI | InChI | 1.03 | InChI=1S/C18H15N5/c19-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)21-17(14)23-18(20)22-16/h1-10H,(H5,19,20,21,22,23) |
| InChIKey | InChI | 1.03 | ALHDUYCWXQUVGC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c2c([nH]c(c3ccccc3)c2c4ccccc4)n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c2c([nH]c(c3ccccc3)c2c4ccccc4)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N |
