| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [N@H]=C(N)c3ccc(c2cc1ccc(cc1n2)C(=[N@H])N)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc(cc1)c2[nH]c3cc(ccc3c2)C(N)=N |
| SMILES | CACTVS | 3.341 | NC(=N)c1ccc(cc1)c2[nH]c3cc(ccc3c2)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20) |
| InChIKey | InChI | 1.03 | FWBHETKCLVMNFS-UHFFFAOYSA-N |
