Chemical Component Summary

NameN6-(buta-2,3-dienyl)adenine
IdentifiersN-(7H-purin-6-yl)but-3-en-1-imine
FormulaC9 H9 N5
Molecular Weight187.201
TypeNON-POLYMER
Isomeric SMILESC=CC\C=N\c1c2c(nc[nH]2)ncn1
InChIInChI=1S/C9H9N5/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h2,4-6H,1,3H2,(H,11,12,13,14)/b10-4+
InChIKeyFOLHQMCIMSOVSL-ONNFQVAWSA-N

Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count24
Aromatic Bond Count10