| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C1c2c(N=C(N)N1)c(cc(N)c2)CSc3nccn3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2c(CSc3[nH]ccn3)cc(N)cc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2c(CSc3[nH]ccn3)cc(N)cc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C12H12N6OS/c13-7-3-6(5-20-12-15-1-2-16-12)9-8(4-7)10(19)18-11(14)17-9/h1-4H,5,13H2,(H,15,16)(H3,14,17,18,19) |
| InChIKey | InChI | 1.03 | CEWKWXPCQGWWBM-UHFFFAOYSA-N |
