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 CC(c1ccccn1)N(CCCCN)Cc1ncccc1N

InChI

InChI=1S/C17H25N5/c1-14(16-8-2-4-10-20-16)22(12-5-3-9-18)13-17-15(19)7-6-11-21-17/h2,4,6-8,10-11,14H,3,5,9,12-13,18-19H2,1H3

InChIKey XVDAHVVDMFIUIX-UHFFFAOYSA-N

Molecular Weight

299.42