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 COc1ccc(-c2nc3cc4cccnc4c(Cl)c3[nH]2)c(OC)c1

InChI InChI=1S/C18H14ClN3O2/c1-23-11-5-6-12(14(9-11)24-2)18-21-13-8-10-4-3-7-20-16(10)15(19)17(13)22-18/h3-9H,1-2H3,(H,21,22)

InChIKey UJUHYXOVRXZGST-UHFFFAOYSA-N

Molecular Weight

339.78