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 Cc1nc2c(OCc3ccccc3)cccn2c1N

InChI InChI=1S/C15H15N3O/c1-11-14(16)18-9-5-8-13(15(18)17-11)19-10-12-6-3-2-4-7-12/h2-9H,10,16H2,1H3

InChIKey JGWVBIHUBXXZBE-UHFFFAOYSA-N

Molecular Weight

253.31