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 CC(C)n1c(=O)c2c(-c3ccc(F)cc3)ncn2c2cccc(Cl)c21

InChI InChI=1S/C19H15ClFN3O/c1-11(2)24-17-14(20)4-3-5-15(17)23-10-22-16(18(23)19(24)25)12-6-8-13(21)9-7-12/h3-11H,1-2H3

InChIKey WAUIYPZGHZJRCZ-UHFFFAOYSA-N

Molecular Weight

355.8