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 CN1Cc2cc(F)ccc2OCCNC(=O)c2cnc3ccc1nn23

InChI

InChI=1S/C17H16FN5O2/c1-22-10-11-8-12(18)2-3-14(11)25-7-6-19-17(24)13-9-20-15-4-5-16(22)21-23(13)15/h2-5,8-9H,6-7,10H2,1H3,(H,19,24)

InChIKey XMQOCSTWSHBZGY-UHFFFAOYSA-N

Molecular Weight

341.35