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 CN(C)C(=O)n1cnc(S(=O)(=O)N(C)c2ccccc2)n1

InChI InChI=1S/C12H15N5O3S/c1-15(2)12(18)17-9-13-11(14-17)21(19,20)16(3)10-7-5-4-6-8-10/h4-9H,1-3H3

InChIKey UVPWRGZQCZCDHF-UHFFFAOYSA-N

Molecular Weight

309.35