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 CCCC(c1ccncc1)n1ccc2ccccc21

InChI InChI=1S/C17H18N2/c1-2-5-16(15-8-11-18-12-9-15)19-13-10-14-6-3-4-7-17(14)19/h3-4,6-13,16H,2,5H2,1H3

InChIKey QHMFRKMGCLKZRZ-UHFFFAOYSA-N

Molecular Weight

250.35