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UKN

Summary
Name:(4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Formula:C12 H8 Cl F N2 O4
Formal charge:0
Formula weight:298.654 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
OpenEye OEToolkits2.0.7(4-chlorophenyl)methyl 5-fluoranyl-2,4-bis(oxidanylidene)-1~{H}-pyrimidine-6-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(C(=O)OCc2ccc(Cl)cc2)=C(F)C(=O)N1
InChIInChI1.06InChI=1S/C12H8ClFN2O4/c13-7-3-1-6(2-4-7)5-20-11(18)9-8(14)10(17)16-12(19)15-9/h1-4H,5H2,(H2,15,16,17,19)
InChIKeyInChI1.06QEEOXIYGELWSIT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC1=C(NC(=O)NC1=O)C(=O)OCc2ccc(Cl)cc2
SMILESCACTVS3.385FC1=C(NC(=O)NC1=O)C(=O)OCc2ccc(Cl)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1COC(=O)C2=C(C(=O)NC(=O)N2)F)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1COC(=O)C2=C(C(=O)NC(=O)N2)F)Cl

223532

PDB entries from 2024-08-07

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