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)[C@@H]3CCO)n1

InChI

InChI=1S/C17H17FN6O2S/c1-10-19-16(27-22-10)15-21-20-14-13(6-9-25)23(7-8-24(14)15)17(26)11-2-4-12(18)5-3-11/h2-5,13,25H,6-9H2,1H3/t13-/m1/s1

InChIKey SZEYAOKHLPDWFZ-CYBMUJFWSA-N

Molecular Weight

388.43