種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C17H24N4O2S/c1-10-5-11(2)7-21(6-10)8-14-9-24-17(19-14)20-16(22)15-12(3)18-13(4)23-15/h9-11H,5-8H2,1-4H3,(H,19,20,22)/t10-,11+ |
InChIKey | InChI | 1.03 | CNBKQIUIQRBCJT-PHIMTYICSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C[C@@H](C)CN(C1)Cc2csc(NC(=O)c3oc(C)nc3C)n2 |
SMILES | CACTVS | 3.385 | C[CH]1C[CH](C)CN(C1)Cc2csc(NC(=O)c3oc(C)nc3C)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3CC(CC(C3)C)C |