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 COc1ccccc1-c1nnc2nnc3c4ccccc4[nH]c3n12

InChI InChI=1S/C17H12N6O/c1-24-13-9-5-3-7-11(13)15-20-22-17-21-19-14-10-6-2-4-8-12(10)18-16(14)23(15)17/h2-9,18H,1H3

InChIKey JGILAQQWXUBRJG-UHFFFAOYSA-N

Molecular Weight

316.32