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 CCOc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1

InChI

InChI=1S/C23H33N5O2/c1-4-30-21-11-6-5-10-20(21)28-17-15-27(16-18-28)14-8-13-25-22-19(9-7-12-24-22)23(29)26(2)3/h5-7,9-12H,4,8,13-18H2,1-3H3,(H,24,25)

InChIKey SLAOOBQSXPGAMQ-UHFFFAOYSA-N

Molecular Weight

411.55