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63M

Summary
Name:N-tert-butyl-5-{[(1-methyl-1H-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:C15 H19 N7 O3 S
Formal charge:0
Formula weight:377.421 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-tert-butyl-5-{[(1-methyl-1H-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
OpenEye OEToolkits2.0.4~{N}-~{tert}-butyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(c3ccnn3C)=O
InChIInChI1.03InChI=1S/C15H19N7O3S/c1-15(2,3)19-14(23)10-9-17-22-8-6-11(18-13(10)22)20-26(24,25)12-5-7-16-21(12)4/h5-9H,1-4H3,(H,18,20)(H,19,23)
InChIKeyInChI1.03TXLKGLIVYSFVAR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1nccc1[S](=O)(=O)Nc2ccn3ncc(C(=O)NC(C)(C)C)c3n2
SMILESCACTVS3.385Cn1nccc1[S](=O)(=O)Nc2ccn3ncc(C(=O)NC(C)(C)C)c3n2
SMILES_CANONICALOpenEye OEToolkits2.0.4CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(=O)c3ccnn3C
SMILESOpenEye OEToolkits2.0.4CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(=O)c3ccnn3C

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數據於2024-07-17公開中

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