| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [N@H]=C(N)c4ccc(Oc3ccc(c2nc1cc(ccc1n2)C(=[N@H])N)cc3)cc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc(Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)C(N)=N)cc1 |
| SMILES | CACTVS | 3.341 | NC(=N)c1ccc(Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)C(N)=N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/c1ccc(cc1)Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N/[H])/N)\N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc(cc1)Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)C(=N[H])N)N |
| InChI | InChI | 1.03 | InChI=1S/C21H18N6O/c22-19(23)12-1-6-15(7-2-12)28-16-8-3-13(4-9-16)21-26-17-10-5-14(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27) |
| InChIKey | InChI | 1.03 | CYEDCBBFAKUDNG-UHFFFAOYSA-N |
