Chemical Component Summary

Name3-(2-{3-[(2,4-diamino-6-phenylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
Identifiers3-[2-[3-[2,4-bis(azanyl)-6-phenyl-pyrimidin-5-yl]oxypropoxy]phenyl]propanoic acid
FormulaC22 H24 N4 O4
Molecular Weight408.45
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)c2c(c(nc(n2)N)N)OCCCOc3ccccc3CCC(=O)O
InChIInChI=1S/C22H24N4O4/c23-21-20(19(25-22(24)26-21)16-8-2-1-3-9-16)30-14-6-13-29-17-10-5-4-7-15(17)11-12-18(27)28/h1-5,7-10H,6,11-14H2,(H,27,28)(H4,23,24,25,26)
InChIKeyMQBJSOKWHAUCTM-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count56
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 171920657