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 Cc1cccc(C)c1CNc1nccc2c1cc(C)n2C

InChI InChI=1S/C18H21N3/c1-12-6-5-7-13(2)16(12)11-20-18-15-10-14(3)21(4)17(15)8-9-19-18/h5-10H,11H2,1-4H3,(H,19,20)

InChIKey GQQOBKGSKQCRQT-UHFFFAOYSA-N

Molecular Weight

279.39