ERS

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol



Chemical Component Summary

Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol
Identifiers(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)purin-9-yl]oxolane-3,4-diol
FormulaC20 H24 N6 O4
Molecular Weight412.442
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChIInChI=1S/C20H24N6O4/c27-10-14-16(28)17(29)20(30-14)26-12-23-15-18(21-11-22-19(15)26)25-8-6-24(7-9-25)13-4-2-1-3-5-13/h1-5,11-12,14,16-17,20,27-29H,6-10H2/t14-,16-,17-,20-/m1/s1
InChIKeyFVRJZHPJEJJPPT-WVSUBDOOSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count4
Bond Count58
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 44776615
ChEMBL CHEMBL2042164