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 CCC(C)(C)c1ccc(OCCCCN2CCN(c3cnccn3)CC2)cc1

InChI

InChI=1S/C23H34N4O/c1-4-23(2,3)20-7-9-21(10-8-20)28-18-6-5-13-26-14-16-27(17-15-26)22-19-24-11-12-25-22/h7-12,19H,4-6,13-18H2,1-3H3

InChIKey AXSBUUREHUWYMO-UHFFFAOYSA-N

Molecular Weight

382.55