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 CCn1cncc1-c1c[nH]c2ccccc12

InChI InChI=1S/C13H13N3/c1-2-16-9-14-8-13(16)11-7-15-12-6-4-3-5-10(11)12/h3-9,15H,2H2,1H3

InChIKey QCRQCHPHFSGHAU-UHFFFAOYSA-N

Molecular Weight

211.27