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 Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C1CCCC1

InChI

InChI=1S/C16H16ClN5O/c17-11-6-5-9(7-12(11)23)14-13-15(18)19-8-20-16(13)22(21-14)10-3-1-2-4-10/h5-8,10,23H,1-4H2,(H2,18,19,20)

InChIKey UDUPSRWUDACGIS-UHFFFAOYSA-N

Molecular Weight

329.79