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QYA

Summary
Name:2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide
Formula:C12 H12 N4 O5 S
Formal charge:0
Formula weight:324.312 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide
OpenEye OEToolkits2.0.72-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1=CC(NC(N1CC(Nc2ccc(cc2)S(N)(=O)=O)=O)=O)=O
InChIInChI1.03InChI=1S/C12H12N4O5S/c13-22(20,21)9-3-1-8(2-4-9)14-11(18)7-16-6-5-10(17)15-12(16)19/h1-6H,7H2,(H,14,18)(H2,13,20,21)(H,15,17,19)
InChIKeyInChI1.03FIFNUJTXJIFDBS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(NC(=O)CN2C=CC(=O)NC2=O)cc1
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(NC(=O)CN2C=CC(=O)NC2=O)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N

218853

PDB entries from 2024-04-24

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