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(nc3cccc(O)c13)CCCC2O

InChI InChI=1S/C13H14N2O2/c14-13-11-7(3-1-5-9(11)16)15-8-4-2-6-10(17)12(8)13/h1,3,5,10,16-17H,2,4,6H2,(H2,14,15)

InChIKey NAXJYEZDDJLCPA-UHFFFAOYSA-N

Molecular Weight

230.27