| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c12nc(nc(c1c(C)c(s2)Sc4c3ccccc3ccc4)N)N |
| InChI | InChI | 1.03 | InChI=1S/C17H14N4S2/c1-9-13-14(18)20-17(19)21-15(13)23-16(9)22-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H4,18,19,20,21) |
| InChIKey | InChI | 1.03 | DSWPJTXRDPNDRO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(Sc2cccc3ccccc23)sc4nc(N)nc(N)c14 |
| SMILES | CACTVS | 3.385 | Cc1c(Sc2cccc3ccccc23)sc4nc(N)nc(N)c14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c2c(nc(nc2sc1Sc3cccc4c3cccc4)N)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c2c(nc(nc2sc1Sc3cccc4c3cccc4)N)N |
