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 CC(C)C1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1

InChI InChI=1S/C13H18ClN5/c1-8(2)13(3)18-11(15)17-12(16)19(13)10-6-4-5-9(14)7-10/h4-8H,1-3H3,(H4,15,16,17,18)

InChIKey RXPAPCCJXCSKEB-UHFFFAOYSA-N

Molecular Weight

279.78