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ON1

Summary
Name:2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
Formula:C12 H8 Cl2 N2 O4
Formal charge:0
Formula weight:315.109 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.022-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
OpenEye OEToolkits1.6.12-[(3,4-dichlorophenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(O)c1nc(nc(O)c1O)Cc2cc(Cl)c(Cl)cc2
SMILES_CANONICALCACTVS3.352OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)nc(O)c1O
SMILESCACTVS3.352OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)nc(O)c1O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl
SMILESOpenEye OEToolkits1.7.0c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl
InChIInChI1.03InChI=1S/C12H8Cl2N2O4/c13-6-2-1-5(3-7(6)14)4-8-15-9(12(19)20)10(17)11(18)16-8/h1-3,17H,4H2,(H,19,20)(H,15,16,18)
InChIKeyInChI1.03OZDSTVKQUHMIRA-UHFFFAOYSA-N

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PDB entries from 2024-11-06

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