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#CCCCc1cnc2c3c(cccc13)Nc1ccccc1-2

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

InChIKey QRPJOTCSWYSNTK-UHFFFAOYSA-N

Molecular Weight

285.35