| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc1ccc(c(Cl)c1)c3nc(ncc3/N=N/c2ccccc2)N |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1ncc(N=Nc2ccccc2)c(n1)c3ccc(Cl)cc3Cl |
| SMILES | CACTVS | 3.352 | Nc1ncc(N=Nc2ccccc2)c(n1)c3ccc(Cl)cc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)/N=N/c2cnc(nc2c3ccc(cc3Cl)Cl)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)N=Nc2cnc(nc2c3ccc(cc3Cl)Cl)N |
| InChI | InChI | 1.03 | InChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+ |
| InChIKey | InChI | 1.03 | UNJMNJFPEVJCQK-GHVJWSGMSA-N |
