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(C)Nc1nc(NC2CCCCC2)nc(-c2ccncc2)n1

InChI

InChI=1S/C17H24N6/c1-12(2)19-16-21-15(13-8-10-18-11-9-13)22-17(23-16)20-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H2,19,20,21,22,23)

InChIKey HPPXGECUTHERSC-UHFFFAOYSA-N

Molecular Weight

312.42