種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2 |
SMILES | CACTVS | 3.341 | COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC |
InChI | InChI | 1.03 | InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21) |
InChIKey | InChI | 1.03 | RSMUVYRMZCOLBH-UHFFFAOYSA-N |