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WRQ

Summary
Name:N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide
Formula:C9 H15 N5 O7 S2
Formal charge:0
Formula weight:369.375 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide
OpenEye OEToolkits2.0.71-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O
InChIInChI1.06InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)
InChIKeyInChI1.06CTTHWASMBLQOFR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(OC)nc(NC(=O)N[S](=O)(=O)N(C)[S](C)(=O)=O)n1
SMILESCACTVS3.385COc1cc(OC)nc(NC(=O)N[S](=O)(=O)N(C)[S](C)(=O)=O)n1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(S(=O)(=O)C)S(=O)(=O)NC(=O)Nc1nc(cc(n1)OC)OC
SMILESOpenEye OEToolkits2.0.7CN(S(=O)(=O)C)S(=O)(=O)NC(=O)Nc1nc(cc(n1)OC)OC

218853

PDB entries from 2024-04-24

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