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 Cc1ccc2c(c1)-c1cccc3nc4ccccc4c(c13)N2

InChI InChI=1S/C20H14N2/c1-12-9-10-17-15(11-12)13-6-4-8-18-19(13)20(22-17)14-5-2-3-7-16(14)21-18/h2-11,22H,1H3

InChIKey AQMBXQWMIYUHBT-UHFFFAOYSA-N

Molecular Weight

282.35