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 COc1cc2c(NCCCCCO)ncnc2c(OC)c1OC

InChI

InChI=1S/C16H23N3O4/c1-21-12-9-11-13(15(23-3)14(12)22-2)18-10-19-16(11)17-7-5-4-6-8-20/h9-10,20H,4-8H2,1-3H3,(H,17,18,19)

InChIKey SSDALMNYCZFGTO-UHFFFAOYSA-N

Molecular Weight

321.38