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 CCCOc1[nH]cc2nc3ccc(OCc4ccccc4)cc3c-2c1COC

InChI

InChI=1S/C23H24N2O3/c1-3-11-27-23-19(15-26-2)22-18-12-17(28-14-16-7-5-4-6-8-16)9-10-20(18)25-21(22)13-24-23/h4-10,12-13,24H,3,11,14-15H2,1-2H3

InChIKey RKBYHMZFKIUZNA-UHFFFAOYSA-N

Molecular Weight

376.46