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 CCc1cc(NC(=O)C(C)(C)C)c(OC)nc1C

InChI InChI=1S/C14H22N2O2/c1-7-10-8-11(12(18-6)15-9(10)2)16-13(17)14(3,4)5/h8H,7H2,1-6H3,(H,16,17)

InChIKey YNOHDVUYAXBTFK-UHFFFAOYSA-N

Molecular Weight

250.34