Skip to main content
Free research Free research Free identifier cleaner with research home and workspace preview
Quick search ChEMBL 36

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
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
QWCRAEMEVRGPNT-UHFFFAOYSA-N
385.51
Search this InChIKey in ChEMBL →