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 COc1ccc(Sc2[nH]c3nc(N)nc(N)c3c2C(C)C)cc1

InChI

InChI=1S/C16H19N5OS/c1-8(2)11-12-13(17)19-16(18)21-14(12)20-15(11)23-10-6-4-9(22-3)5-7-10/h4-8H,1-3H3,(H5,17,18,19,20,21)

InChIKey MZSSVCUBSWSWFB-UHFFFAOYSA-N

Molecular Weight

329.43