LHF

5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one


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Chemical Component Summary

Name5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one
Identifiers5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one
FormulaC24 H28 Br N9 O5
Molecular Weight602.44
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1OCCN2C=C(C(=NC2=O)N)CNCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Br
InChIInChI=1S/C24H28BrN9O5/c25-14-1-3-15(4-2-14)38-8-7-33-10-13(20(26)32-24(33)37)9-28-6-5-16-18(35)19(36)23(39-16)34-12-31-17-21(27)29-11-30-22(17)34/h1-4,10-12,16,18-19,23,28,35-36H,5-9H2,(H2,26,32,37)(H2,27,29,30)/t16-,18-,19-,23-/m1/s1
InChIKeyAFEXDGZCVHONJJ-DYVMYPEFSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count4
Bond Count71
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 129900306