| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nc(sc1c2cc3c(cc2)ncc3c5nc(NC4CCCC4)ccc5)N |
| InChI | InChI | 1.03 | InChI=1S/C20H20N6S/c21-20-26-25-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(24-17)23-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,26)(H,23,24) |
| InChIKey | InChI | 1.03 | LYSVYDGAEVIKAF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(nn1)c2ccc3[nH]cc(c4cccc(NC5CCCC5)n4)c3c2 |
| SMILES | CACTVS | 3.385 | Nc1sc(nn1)c2ccc3[nH]cc(c4cccc(NC5CCCC5)n4)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N |
