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)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(Cl)c4)nn3)cc2)C1

InChI

InChI=1S/C23H25ClN4O3/c1-15(2)31-22-9-6-17(10-20(22)24)21-14-28(26-25-21)19-7-4-16(5-8-19)11-27-12-18(13-27)23(29)30-3/h4-10,14-15,18H,11-13H2,1-3H3

InChIKey DMHICRYGYVMDJG-UHFFFAOYSA-N

Molecular Weight

440.93