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 Cc1csc2ncnc(NCCc3ccc(Cl)cc3)c12

InChI InChI=1S/C15H14ClN3S/c1-10-8-20-15-13(10)14(18-9-19-15)17-7-6-11-2-4-12(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)

InChIKey LEGUQDCVQXJFKS-UHFFFAOYSA-N

Molecular Weight

303.82