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 Cc1c(SCc2ccc(C(C)(C)C)cc2)cnn(C(C)(C)C)c1=O

InChI InChI=1S/C20H28N2OS/c1-14-17(12-21-22(18(14)23)20(5,6)7)24-13-15-8-10-16(11-9-15)19(2,3)4/h8-12H,13H2,1-7H3

InChIKey MYPNMDHKSIYKPA-UHFFFAOYSA-N

Molecular Weight

344.52