| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1cccc(c1)C)CSc3nc2c(N=C(N)NC2=O)n3 |
| InChI | InChI | 1.03 | InChI=1S/C14H13N5O2S/c1-7-3-2-4-8(5-7)9(20)6-22-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21) |
| InChIKey | InChI | 1.03 | KDLSQBTYPBZMRM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)C(=O)CSc2[nH]c3N=C(N)NC(=O)c3n2 |
| SMILES | CACTVS | 3.385 | Cc1cccc(c1)C(=O)CSc2[nH]c3N=C(N)NC(=O)c3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc(c1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc(c1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N |
