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 Cn1c2ccccc2c2c1cnc1c3ccccc3n(C)c12

InChI InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3

InChIKey RFIKRRONIPLNPE-UHFFFAOYSA-N

Molecular Weight

285.35