Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES NC(N)=O

InChI InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

InChIKey XSQUKJJJFZCRTK-UHFFFAOYSA-N

Molecular Weight

60.06