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 CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(CC#CC)c1=O

InChI

InChI=1S/C17H22N4O2/c1-3-5-10-20-15(19-9-7-8-14(18)13-19)12-16(22)21(17(20)23)11-6-4-2/h12,14H,7-11,13,18H2,1-2H3/t14-/m1/s1

InChIKey OLQXVSOYOOMEQI-CQSZACIVSA-N

Molecular Weight

314.39