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 CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc(Br)c2[nH]cnc2c1

InChI

InChI=1S/C13H11BrN4O2S3/c1-21-13-10(4-9(22-13)12(15)16)23(19,20)6-2-7(14)11-8(3-6)17-5-18-11/h2-5H,1H3,(H3,15,16)(H,17,18)

InChIKey DPIHQSPDLAUFSG-UHFFFAOYSA-N

Molecular Weight

431.36