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 Cc1nn(-c2ccc(CN)cn2)c(C)c1-c1ccc(F)cc1

InChI InChI=1S/C17H17FN4/c1-11-17(14-4-6-15(18)7-5-14)12(2)22(21-11)16-8-3-13(9-19)10-20-16/h3-8,10H,9,19H2,1-2H3

InChIKey POIKSTHXKNCWIR-UHFFFAOYSA-N

Molecular Weight

296.35