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 CCNc1nc(-c2ccc(I)cc2)nc2ccccc12

InChI InChI=1S/C16H14IN3/c1-2-18-16-13-5-3-4-6-14(13)19-15(20-16)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3,(H,18,19,20)

InChIKey ZJVIOKMYYACBDT-UHFFFAOYSA-N

Molecular Weight

375.21