| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(C)c(C(=O)O)sc2c1c(nc(n2)CCc3ccccc3)NC |
| InChI | InChI | 1.03 | InChI=1S/C17H17N3O2S/c1-10-13-15(18-2)19-12(9-8-11-6-4-3-5-7-11)20-16(13)23-14(10)17(21)22/h3-7H,8-9H2,1-2H3,(H,21,22)(H,18,19,20) |
| InChIKey | InChI | 1.03 | WNBAQRWHLIHMSN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(CCc2ccccc2)nc3sc(C(O)=O)c(C)c13 |
| SMILES | CACTVS | 3.385 | CNc1nc(CCc2ccccc2)nc3sc(C(O)=O)c(C)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC |
