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 Cc1ccccc1-n1c(S)nc2cnc3ccccc3c21

InChI InChI=1S/C17H13N3S/c1-11-6-2-5-9-15(11)20-16-12-7-3-4-8-13(12)18-10-14(16)19-17(20)21/h2-10H,1H3,(H,19,21)

InChIKey ZBBOEODUROWEBS-UHFFFAOYSA-N

Molecular Weight

291.38