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 Cc1cc(Br)c(NC2=NCCN2)c2c(Cl)c[nH]c12

InChI InChI=1S/C12H12BrClN4/c1-6-4-7(13)11(18-12-15-2-3-16-12)9-8(14)5-17-10(6)9/h4-5,17H,2-3H2,1H3,(H2,15,16,18)

InChIKey CAISHEUSYLPYMJ-UHFFFAOYSA-N

Molecular Weight

327.61