種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(Nc1nc(cs1)C)c3cc(Sc2nncn2C)ccc3NC |
SMILES_CANONICAL | CACTVS | 3.341 | CNc1ccc(Sc2nncn2C)cc1C(=O)Nc3scc(C)n3 |
SMILES | CACTVS | 3.341 | CNc1ccc(Sc2nncn2C)cc1C(=O)Nc3scc(C)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C |
InChI | InChI | 1.03 | InChI=1S/C15H16N6OS2/c1-9-7-23-14(18-9)19-13(22)11-6-10(4-5-12(11)16-2)24-15-20-17-8-21(15)3/h4-8,16H,1-3H3,(H,18,19,22) |
InChIKey | InChI | 1.03 | XRJAKERBMMBUGR-UHFFFAOYSA-N |