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 Cc1cc2c(s1)Nc1ccccc1N=C2NCCN1CCCCC1

InChI

InChI=1S/C19H24N4S/c1-14-13-15-18(20-9-12-23-10-5-2-6-11-23)21-16-7-3-4-8-17(16)22-19(15)24-14/h3-4,7-8,13,22H,2,5-6,9-12H2,1H3,(H,20,21)

InChIKey BUYSTVXYSVJSMH-UHFFFAOYSA-N

Molecular Weight

340.5