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 Nc1ccc2c(c1)Nc1c3ccccc3nc3cccc-2c13

InChI InChI=1S/C19H13N3/c20-11-8-9-12-13-5-3-7-16-18(13)19(22-17(12)10-11)14-4-1-2-6-15(14)21-16/h1-10,22H,20H2

InChIKey GXWADFSJSNHDMM-UHFFFAOYSA-N

Molecular Weight

283.33