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 O=C(N1CCCC1)N1Cc2c(-c3ccccc3)ncn2-c2ccccc21

InChI

InChI=1S/C21H20N4O/c26-21(23-12-6-7-13-23)24-14-19-20(16-8-2-1-3-9-16)22-15-25(19)18-11-5-4-10-17(18)24/h1-5,8-11,15H,6-7,12-14H2

InChIKey PWKRRGLRPVTOBG-UHFFFAOYSA-N

Molecular Weight

344.42