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 COc1ccc2c(OCCn3c(=O)oc4cc(N)ccc43)ccnc2c1

InChI

InChI=1S/C19H17N3O4/c1-24-13-3-4-14-15(11-13)21-7-6-17(14)25-9-8-22-16-5-2-12(20)10-18(16)26-19(22)23/h2-7,10-11H,8-9,20H2,1H3

InChIKey DPJVLCNBELPWBX-UHFFFAOYSA-N

Molecular Weight

351.36