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=c1oc2ccccc2cc1-c1nnc2n1N=C(c1ccc(F)cc1)CS2

InChI InChI=1S/C19H11FN4O2S/c20-13-7-5-11(6-8-13)15-10-27-19-22-21-17(24(19)23-15)14-9-12-3-1-2-4-16(12)26-18(14)25/h1-9H,10H2

InChIKey NLBWZRZAZIDLCC-UHFFFAOYSA-N

Molecular Weight

378.39