Chemical Component Summary

NameN-[(4-aminophenyl)methyl]adenosine
Identifiers(2~{R},3~{R},4~{S},5~{R})-2-[6-[(4-aminophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
FormulaC17 H20 N6 O4
Molecular Weight372.379
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChIInChI=1S/C17H20N6O4/c18-10-3-1-9(2-4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6,18H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
InChIKeyPMUVNAUPWLXPSA-LSCFUAHRSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count4
Bond Count50
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 125347
ChEMBL CHEMBL259188