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 CN(C)CCNC(=O)c1cccc2cc3ccc(N(C)C)cc3nc12

InChI

InChI=1S/C20H24N4O/c1-23(2)11-10-21-20(25)17-7-5-6-15-12-14-8-9-16(24(3)4)13-18(14)22-19(15)17/h5-9,12-13H,10-11H2,1-4H3,(H,21,25)

InChIKey BIQGQQMVWZPWDW-UHFFFAOYSA-N

Molecular Weight

336.44