| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [N@H]=C(N)c1cc(ccc1)c4ccc(c3nc2cc(ccc2n3)C(=[N@H])N)cc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(N)=N |
| SMILES | CACTVS | 3.341 | NC(=N)c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(=N[H])N)N |
| InChI | InChI | 1.03 | InChI=1S/C21H18N6/c22-19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)21-26-17-9-8-16(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27) |
| InChIKey | InChI | 1.03 | JTEAXLWMBHFLPI-UHFFFAOYSA-N |
