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 CN1C(=O)/C(=C/c2cc3ccccc3[nH]2)NC1=S

InChI InChI=1S/C13H11N3OS/c1-16-12(17)11(15-13(16)18)7-9-6-8-4-2-3-5-10(8)14-9/h2-7,14H,1H3,(H,15,18)/b11-7-

InChIKey SNAKUMXCPXWHQF-XFFZJAGNSA-N

Molecular Weight

257.32