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)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21

InChI

InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3

InChIKey PCKMQUISQMUBKK-UHFFFAOYSA-N

Molecular Weight

350.38