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 Nc1c(Cl)ncnc1N/N=C/c1ccccn1

InChI InChI=1S/C10H9ClN6/c11-9-8(12)10(15-6-14-9)17-16-5-7-3-1-2-4-13-7/h1-6H,12H2,(H,14,15,17)/b16-5+

InChIKey YFAMMAZGJNPFSY-FZSIALSZSA-N

Molecular Weight

248.68