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 CN(C)c1cccc2c(S(=O)(=O)NN=C(N)N)cccc12

InChI InChI=1S/C13H17N5O2S/c1-18(2)11-7-3-6-10-9(11)5-4-8-12(10)21(19,20)17-16-13(14)15/h3-8,17H,1-2H3,(H4,14,15,16)

InChIKey QDJMPJLVUGQLNM-UHFFFAOYSA-N

Molecular Weight

307.38