| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [N@H]=C(N)c1ccc(cc1)c4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc(cc1)c2ccc(cc2)c3[nH]c4cc(ccc4n3)C(N)=N |
| SMILES | CACTVS | 3.341 | NC(=N)c1ccc(cc1)c2ccc(cc2)c3[nH]c4cc(ccc4n3)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)C(=N)N)/N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)C(=N)N)N |
| InChI | InChI | 1.03 | InChI=1S/C21H18N6/c22-19(23)14-5-1-12(2-6-14)13-3-7-15(8-4-13)21-26-17-10-9-16(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27) |
| InChIKey | InChI | 1.03 | MIMVUHYHAXPADM-UHFFFAOYSA-N |
