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 COc1c(C(C)(C)C)cc(Cc2cnc(N)nc2N)cc1C(C)(C)C

InChI

InChI=1S/C20H30N4O/c1-19(2,3)14-9-12(8-13-11-23-18(22)24-17(13)21)10-15(16(14)25-7)20(4,5)6/h9-11H,8H2,1-7H3,(H4,21,22,23,24)

InChIKey PWXGOQREGLRIRB-UHFFFAOYSA-N

Molecular Weight

342.49