| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | N=C(N)c1ccc2n3[Zn+2]n4c5ccc(cc5[NH]c4C(=O)c3[NH]c2c1)C(=N)N |
| InChI | InChI | 1.06 | InChI=1S/C17H14N8O.Zn/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17;/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25);/q;+2 |
| InChIKey | InChI | 1.06 | HVBTUCVMJFLBRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Zn++].NC(=N)c1ccc2nc([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)=N |
| SMILES | CACTVS | 3.385 | [Zn++].NC(=N)c1ccc2nc([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(\N)/c1cc2c(cc1)[N]3=C(N2)C(=O)C4=[N]([Zn+2]3)c5c(cc(cc5)/C(=N/[H])/N)N4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C(=N)N)NC3=[N]2[Zn+2][N]4=C(C3=O)Nc5c4ccc(c5)C(=N)N |
