| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CC1(OC(c3c(C1)c(c(NC(=O)c2ccnn2)s3)C(=O)N)(C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22) |
| InChIKey | InChI | 1.03 | GHTGYZMBQPXTCQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)Cc2c(sc(NC(=O)c3cc[nH]n3)c2C(N)=O)C(C)(C)O1 |
| SMILES | CACTVS | 3.385 | CC1(C)Cc2c(sc(NC(=O)c3cc[nH]n3)c2C(N)=O)C(C)(C)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3)C(=O)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3)C(=O)N)C |
