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 Nc1cc(Cl)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1

InChI

InChI=1S/C17H21ClN6O2/c18-13-9-15(19)20-11-12(13)14-10-16(23-1-5-25-6-2-23)22-17(21-14)24-3-7-26-8-4-24/h9-11H,1-8H2,(H2,19,20)

InChIKey JKVGJGBIUVYAIV-UHFFFAOYSA-N

Molecular Weight

376.85