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 COc1cc(OC(C)=O)cc2c1N(Cc1ccccc1)C(C)(C)C=C2C

InChI InChI=1S/C22H25NO3/c1-15-13-22(3,4)23(14-17-9-7-6-8-10-17)21-19(15)11-18(26-16(2)24)12-20(21)25-5/h6-13H,14H2,1-5H3

InChIKey UYJNIEUUDZODCR-UHFFFAOYSA-N

Molecular Weight

351.45