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 CCc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2

InChI InChI=1S/C15H18N2OS/c1-4-12-13-9(7-15(2,3)8-11(13)18)14(19-12)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)

InChIKey NSVRIDBPWFCPNQ-UHFFFAOYSA-N

Molecular Weight

274.39