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 C=CCc1c(OC)cc2ncn(-c3ccc(OC)cc3)c(=O)c2c1O

InChI InChI=1S/C19H18N2O4/c1-4-5-14-16(25-3)10-15-17(18(14)22)19(23)21(11-20-15)12-6-8-13(24-2)9-7-12/h4,6-11,22H,1,5H2,2-3H3

InChIKey QJRRDJKPBYIWGE-UHFFFAOYSA-N

Molecular Weight

338.36