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 N#CCCCc1cc2cccc3c2c(n1)-c1ccccc1N3

InChI InChI=1S/C19H15N3/c20-11-4-3-7-14-12-13-6-5-10-17-18(13)19(21-14)15-8-1-2-9-16(15)22-17/h1-2,5-6,8-10,12,22H,3-4,7H2

InChIKey LOCHVBCNEYIFIJ-UHFFFAOYSA-N

Molecular Weight

285.35