| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [N@H]=C(c4ccc1c(nc(n1)Cc2nc3ccccc3n2)c4)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc2[nH]c(Cc3[nH]c4ccccc4n3)nc2c1 |
| SMILES | CACTVS | 3.341 | NC(=N)c1ccc2[nH]c(Cc3[nH]c4ccccc4n3)nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22) |
| InChIKey | InChI | 1.03 | KKJYVDXDZURHMA-UHFFFAOYSA-N |
