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 Cc1ccc(-c2nnc3nc4ccccc4n3c2O)s1

InChI InChI=1S/C14H10N4OS/c1-8-6-7-11(20-8)12-13(19)18-10-5-3-2-4-9(10)15-14(18)17-16-12/h2-7,19H,1H3

InChIKey ZZTNVBYQWGPYGF-UHFFFAOYSA-N

Molecular Weight

282.33