Chemical Component Summary

Name4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid
Identifiers4-[[2-[(4-carboxyphenyl)amino]pyrimidin-4-yl]amino]benzoic acid
FormulaC18 H14 N4 O4
Molecular Weight350.328
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O
InChIInChI=1S/C18H14N4O4/c23-16(24)11-1-5-13(6-2-11)20-15-9-10-19-18(22-15)21-14-7-3-12(4-8-14)17(25)26/h1-10H,(H,23,24)(H,25,26)(H2,19,20,21,22)
InChIKeyPZRUXYWYONKHDD-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count42
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 779302
ChEMBL CHEMBL2170598