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=CC(=O)N1CC(c2nc(-c3ccc(OC(F)(F)F)cc3)c3ncn(C)c3n2)C1

InChI

InChI=1S/C19H16F3N5O2/c1-3-14(28)27-8-12(9-27)17-24-15(16-18(25-17)26(2)10-23-16)11-4-6-13(7-5-11)29-19(20,21)22/h3-7,10,12H,1,8-9H2,2H3

InChIKey CEAPHBAEPGSQPT-UHFFFAOYSA-N

Molecular Weight

403.36