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 Cc1cc(-c2cnc3ccn(CC(O)C4CC4)c3c2)ccc1F

InChI

InChI=1S/C19H19FN2O/c1-12-8-14(4-5-16(12)20)15-9-18-17(21-10-15)6-7-22(18)11-19(23)13-2-3-13/h4-10,13,19,23H,2-3,11H2,1H3

InChIKey MHNLSNPERHDYEH-UHFFFAOYSA-N

Molecular Weight

310.37