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 OC1(c2ccsc2)CN2CCC1CC2

InChI InChI=1S/C11H15NOS/c13-11(10-3-6-14-7-10)8-12-4-1-9(11)2-5-12/h3,6-7,9,13H,1-2,4-5,8H2

InChIKey BPKMMXKNCOJMOQ-UHFFFAOYSA-N

Molecular Weight

209.31