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 Cc1n[nH]c(C)c1N1CCN(c2ccc(F)c(C(=O)O)c2)CC1

InChI

InChI=1S/C16H19FN4O2/c1-10-15(11(2)19-18-10)21-7-5-20(6-8-21)12-3-4-14(17)13(9-12)16(22)23/h3-4,9H,5-8H2,1-2H3,(H,18,19)(H,22,23)

InChIKey GTSWJEYHIQYGTJ-UHFFFAOYSA-N

Molecular Weight

318.35