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 CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)NC1=S

InChI InChI=1S/C14H13N3OS/c1-2-17-13(18)12(16-14(17)19)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,15H,2H2,1H3,(H,16,19)/b12-7+

InChIKey FVAGNRQSMCYSOH-KPKJPENVSA-N

Molecular Weight

271.34