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 Nc1ccc(C#CC2(O)CN3CCC2CC3)cn1

InChI InChI=1S/C14H17N3O/c15-13-2-1-11(9-16-13)3-6-14(18)10-17-7-4-12(14)5-8-17/h1-2,9,12,18H,4-5,7-8,10H2,(H2,15,16)

InChIKey YTMMOSNRPIJSCB-UHFFFAOYSA-N

Molecular Weight

243.31