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 Nc1nc(-c2ccc(I)cc2)nc2ccccc12

InChI InChI=1S/C14H10IN3/c15-10-7-5-9(6-8-10)14-17-12-4-2-1-3-11(12)13(16)18-14/h1-8H,(H2,16,17,18)

InChIKey LEVZCFMUCZMJMA-UHFFFAOYSA-N

Molecular Weight

347.16