| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=N)c1ccc(s1)c1oc(cc1)c1nc2ccc(cc2[NH]1)C(=N)N |
| InChI | InChI | 1.06 | InChI=1S/C17H14N6OS/c18-15(19)8-1-2-9-10(7-8)23-17(22-9)12-4-3-11(24-12)13-5-6-14(25-13)16(20)21/h1-7H,(H3,18,19)(H3,20,21)(H,22,23) |
| InChIKey | InChI | 1.06 | UUWSLLFRNHISGE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1sc(cc1)c2oc(cc2)c3[nH]c4cc(ccc4n3)C(N)=N |
| SMILES | CACTVS | 3.385 | NC(=N)c1sc(cc1)c2oc(cc2)c3[nH]c4cc(ccc4n3)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(o3)c4ccc(s4)/C(=N\[H])/N)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=N)N)[nH]c(n2)c3ccc(o3)c4ccc(s4)C(=N)N |
