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 N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2O)cc1

InChI InChI=1S/C16H11N3O2/c17-9-11-5-7-12(8-6-11)21-15-10-18-19-16(15)13-3-1-2-4-14(13)20/h1-8,10,20H,(H,18,19)

InChIKey NVGRXKSZXWVGHD-UHFFFAOYSA-N

Molecular Weight

277.28