Chemical Component Summary

Name2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
Identifiers2-[(3-bromo-4-methoxy-phenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid
FormulaC13 H11 Br N2 O5
Molecular Weight355.141
TypeNON-POLYMER
Isomeric SMILESCOc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O
InChIInChI=1S/C13H11BrN2O5/c1-21-8-3-2-6(4-7(8)14)5-9-15-10(13(19)20)11(17)12(18)16-9/h2-4,17H,5H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyLQQYBZYFFRDXNT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count33
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL572124
PubChem 135566550, 54728657
ChEMBL CHEMBL572124