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 Cn1ccnc1CN(CCCCN)C1CCCc2cccnc21

InChI

InChI=1S/C18H27N5/c1-22-13-11-20-17(22)14-23(12-3-2-9-19)16-8-4-6-15-7-5-10-21-18(15)16/h5,7,10-11,13,16H,2-4,6,8-9,12,14,19H2,1H3

InChIKey WFYJYSAVZPHLNS-UHFFFAOYSA-N

Molecular Weight

313.45