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 N[C@@H]1CCCN(c2cc(NCc3ccccc3)n3nccc3n2)C1

InChI

InChI=1S/C18H22N6/c19-15-7-4-10-23(13-15)18-11-17(24-16(22-18)8-9-21-24)20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,20H,4,7,10,12-13,19H2/t15-/m1/s1

InChIKey JLPNTVBGBGSUNS-OAHLLOKOSA-N

Molecular Weight

322.42