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 N#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(CCO)c2n1

InChI

InChI=1S/C15H12Cl2N6O/c16-10-2-1-9(5-11(10)17)7-19-14-13-15(22-12(6-18)21-14)23(3-4-24)8-20-13/h1-2,5,8,24H,3-4,7H2,(H,19,21,22)

InChIKey OIVPGGBPPXWQMY-UHFFFAOYSA-N

Molecular Weight

363.21