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 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C32CC2)n1

InChI

InChI=1S/C17H15FN6OS/c1-10-19-14(26-22-10)13-20-21-16-17(6-7-17)24(9-8-23(13)16)15(25)11-2-4-12(18)5-3-11/h2-5H,6-9H2,1H3

InChIKey RNTDTUQLXLGQHN-UHFFFAOYSA-N

Molecular Weight

370.41