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 O=c1c(C2CCCCC2)nc(-c2nccs2)c2n1CCC2

InChI InChI=1S/C16H19N3OS/c20-16-13(11-5-2-1-3-6-11)18-14(15-17-8-10-21-15)12-7-4-9-19(12)16/h8,10-11H,1-7,9H2

InChIKey YYXQGVQSDCEMSP-UHFFFAOYSA-N

Molecular Weight

301.42