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 COc1cc(N2C[C@H]3CN[C@H]3C2)cnc1Br

InChI InChI=1S/C11H14BrN3O/c1-16-10-2-8(4-14-11(10)12)15-5-7-3-13-9(7)6-15/h2,4,7,9,13H,3,5-6H2,1H3/t7-,9+/m1/s1

InChIKey AMUPXCHCIBKYSY-APPZFPTMSA-N

Molecular Weight

284.16