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 COc1ccc2c(c1)sc1nc(-c3ccc(N)cc3)cn12

InChI InChI=1S/C16H13N3OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,17H2,1H3

InChIKey KHYLQHLGCZVNML-UHFFFAOYSA-N

Molecular Weight

295.37