Chemical Component Summary

Name1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
Identifiers3-[5-[2-[(6-amino-5-bromo-pyrimidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]urea
FormulaC17 H15 Br F3 N7 O S
Molecular Weight502.312
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c(c(ncn3)N)Br)C(F)(F)F
InChIInChI=1S/C17H15BrF3N7OS/c18-12-13(22)25-8-26-14(12)23-5-4-11-7-24-16(30-11)28-15(29)27-10-3-1-2-9(6-10)17(19,20)21/h1-3,6-8H,4-5H2,(H3,22,23,25,26)(H2,24,27,28,29)
InChIKeyRLZZNXXMMUZRIT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count47
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 25243838