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 COC(=O)C1CCN(Cc2ccc(-n3cc(-c4ccc(C(C)(C)C)cc4)nn3)cc2)CC1

InChI

InChI=1S/C26H32N4O2/c1-26(2,3)22-9-7-20(8-10-22)24-18-30(28-27-24)23-11-5-19(6-12-23)17-29-15-13-21(14-16-29)25(31)32-4/h5-12,18,21H,13-17H2,1-4H3

InChIKey FPSOTOYAUDAJHH-UHFFFAOYSA-N

Molecular Weight

432.57