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 CCCCCCOc1nsnc1C1=C(C)CCN(C)C1

InChI InChI=1S/C15H25N3OS/c1-4-5-6-7-10-19-15-14(16-20-17-15)13-11-18(3)9-8-12(13)2/h4-11H2,1-3H3

InChIKey NRCRSNGJOLOBPR-UHFFFAOYSA-N

Molecular Weight

295.45