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 Cc1[nH]cnc1CCC(=O)N1CC(C)(C)c2ccccc21

InChI InChI=1S/C17H21N3O/c1-12-14(19-11-18-12)8-9-16(21)20-10-17(2,3)13-6-4-5-7-15(13)20/h4-7,11H,8-10H2,1-3H3,(H,18,19)

InChIKey SSQNUJKKRPIPQK-UHFFFAOYSA-N

Molecular Weight

283.38