Allopurinol 3D structure

Allopurinol (also called Zyloric, Suspendol) has the formula C5H4N4O and a molar mass of 136.11 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C5H4N4O
Molar mass
136.11 g/mol
PubChem CID
135401907
Heavy atoms
10
Category
Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESC1=NNC2=C1C(=O)NC=N2
PubChem CID135401907
Other namesZyloric, Suspendol, Takanarumin, Allopur, Bloxanth

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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