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 c1ccc2c(c1)Nc1nc3ccccc3c3ccnc-2c13

InChI InChI=1S/C18H11N3/c1-3-7-14-11(5-1)12-9-10-19-17-13-6-2-4-8-15(13)21-18(20-14)16(12)17/h1-10H,(H,20,21)

InChIKey HMTOGOKFHJKDBP-UHFFFAOYSA-N

Molecular Weight

269.31