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 COc1ccc(/C=N\NC(=O)c2sc(N)nc2C)cc1OC

InChI

InChI=1S/C14H16N4O3S/c1-8-12(22-14(15)17-8)13(19)18-16-7-9-4-5-10(20-2)11(6-9)21-3/h4-7H,1-3H3,(H2,15,17)(H,18,19)/b16-7-

InChIKey RJMDFNRIJLNRDQ-APSNUPSMSA-N

Molecular Weight

320.37