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 Nc1c2c(nc3c(Cl)cccc13)C1CCC2C1

InChI InChI=1S/C14H13ClN2/c15-10-3-1-2-9-12(16)11-7-4-5-8(6-7)13(11)17-14(9)10/h1-3,7-8H,4-6H2,(H2,16,17)

InChIKey NNGFBICBXZNRCM-UHFFFAOYSA-N

Molecular Weight

244.72