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 NCCCCN(Cc1ccccn1)Cc1nc2ccccc2[nH]1

InChI

InChI=1S/C18H23N5/c19-10-4-6-12-23(13-15-7-3-5-11-20-15)14-18-21-16-8-1-2-9-17(16)22-18/h1-3,5,7-9,11H,4,6,10,12-14,19H2,(H,21,22)

InChIKey OROVXBXVHGZRDH-UHFFFAOYSA-N

Molecular Weight

309.42