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 Cn1c2ccccc2c2[nH]cc3nc4ccccc4c-3c21

InChI InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,19H,1H3

InChIKey JXKAURVNHHPPND-UHFFFAOYSA-N

Molecular Weight

271.32