Chemical Component Summary

Name4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
Identifiers4-[[4-[(2-chlorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid
FormulaC17 H13 Cl N4 O2
Molecular Weight340.764
TypeNON-POLYMER
Isomeric SMILESc1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Cl
InChIInChI=1S/C17H13ClN4O2/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
InChIKeyBAZFHAGOCKJYHX-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count39
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL2170601
PubChem 56587959
ChEMBL CHEMBL2170601