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581

Summary
Name:2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
Formula:C13 H11 N3 O5
Formal charge:0
Formula weight:289.244 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
OpenEye OEToolkits1.7.62-(3-acetamidophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2C(O)=C(N=C(c1cccc(NC(=O)C)c1)N2)C(=O)O
InChIInChI1.03InChI=1S/C13H11N3O5/c1-6(17)14-8-4-2-3-7(5-8)11-15-9(13(20)21)10(18)12(19)16-11/h2-5,18H,1H3,(H,14,17)(H,20,21)(H,15,16,19)
InChIKeyInChI1.03YVWVRDSWELUHOD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CC(=O)Nc1cccc(c1)C2=NC(=C(O)C(=O)N2)C(O)=O
SMILESCACTVS3.370CC(=O)Nc1cccc(c1)C2=NC(=C(O)C(=O)N2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O
SMILESOpenEye OEToolkits1.7.6CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O

248636

PDB entries from 2026-02-04

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