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 Cc1ccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c2cccnc12

InChI

InChI=1S/C22H15N3O2/c1-12-7-10-18(14-6-3-11-24-20(12)14)25-21(26)15-5-2-4-13-17(23)9-8-16(19(13)15)22(25)27/h2-11H,23H2,1H3

InChIKey ZRYFUTIHUVKZKZ-UHFFFAOYSA-N

Molecular Weight

353.38