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 CCCOc1cc(-c2nc(C3COB(O)C3)ns2)ccc1OC

InChI

InChI=1S/C15H19BN2O4S/c1-3-6-21-13-7-10(4-5-12(13)20-2)15-17-14(18-23-15)11-8-16(19)22-9-11/h4-5,7,11,19H,3,6,8-9H2,1-2H3

InChIKey LBADOWKZXSXFPE-UHFFFAOYSA-N

Molecular Weight

334.21