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 CCCNc1c(C(=O)c2ccccc2)c(C)nn1-c1ccccc1

InChI InChI=1S/C20H21N3O/c1-3-14-21-20-18(19(24)16-10-6-4-7-11-16)15(2)22-23(20)17-12-8-5-9-13-17/h4-13,21H,3,14H2,1-2H3

InChIKey LAIFIQRMXMAJQZ-UHFFFAOYSA-N

Molecular Weight

319.41