| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [N@H]=C(c1ccc(cc1)c2sc(cc2)c3nc4c(c3)ccc(/C(N)=N)c4)N |
| InChI | InChI | 1.03 | InChI=1S/C20H17N5S/c21-19(22)12-3-1-11(2-4-12)17-7-8-18(26-17)16-9-13-5-6-14(20(23)24)10-15(13)25-16/h1-10,25H,(H3,21,22)(H3,23,24) |
| InChIKey | InChI | 1.03 | SLHMDSOFLPLMCD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(cc1)c2sc(cc2)c3[nH]c4cc(ccc4c3)C(N)=N |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc(cc1)c2sc(cc2)c3[nH]c4cc(ccc4c3)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1ccc(cc1)c2ccc(s2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(s2)c3cc4ccc(cc4[nH]3)C(=N)N)C(=N)N |
