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 Cc1cc2c(c(C#N)c1C)NC(=O)CN=C2c1ccccc1F

InChI InChI=1S/C18H14FN3O/c1-10-7-13-17(12-5-3-4-6-15(12)19)21-9-16(23)22-18(13)14(8-20)11(10)2/h3-7H,9H2,1-2H3,(H,22,23)

InChIKey GHJBINVHZPQQJN-UHFFFAOYSA-N

Molecular Weight

307.33