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=c1n(/C=C/S(=O)(=O)c2ccccc2)nnn1-c1cccnc1

InChI InChI=1S/C14H11N5O3S/c20-14-18(16-17-19(14)12-5-4-8-15-11-12)9-10-23(21,22)13-6-2-1-3-7-13/h1-11H/b10-9+

InChIKey DNEFQSAZQXHQRP-MDZDMXLPSA-N

Molecular Weight

329.34