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 CCC1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1

InChI

InChI=1S/C17H17FN6OS/c1-3-13-14-20-21-15(16-19-10(2)22-26-16)24(14)9-8-23(13)17(25)11-4-6-12(18)7-5-11/h4-7,13H,3,8-9H2,1-2H3

InChIKey OZKSTTVUQRWBIO-UHFFFAOYSA-N

Molecular Weight

372.43