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 C#CCN1C(=O)/C(=C/c2n[nH]c3ccccc23)NC1=S

InChI InChI=1S/C14H10N4OS/c1-2-7-18-13(19)12(15-14(18)20)8-11-9-5-3-4-6-10(9)16-17-11/h1,3-6,8H,7H2,(H,15,20)(H,16,17)/b12-8-

InChIKey OIJWAUAIXZPMNC-WQLSENKSSA-N

Molecular Weight

282.33