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 Cn1c(-c2ccccc2)cnc1SCc1nc(O)c2ccccc2n1

InChI

InChI=1S/C19H16N4OS/c1-23-16(13-7-3-2-4-8-13)11-20-19(23)25-12-17-21-15-10-6-5-9-14(15)18(24)22-17/h2-11H,12H2,1H3,(H,21,22,24)

InChIKey OYJMHBWMRQYJDV-UHFFFAOYSA-N

Molecular Weight

348.43