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(C)c1nnc2ccc(-c3ocnc3-c3ccccc3)cn12

InChI InChI=1S/C18H16N4O/c1-12(2)18-21-20-15-9-8-14(10-22(15)18)17-16(19-11-23-17)13-6-4-3-5-7-13/h3-12H,1-2H3

InChIKey GGUWFBJTYKFSCP-UHFFFAOYSA-N

Molecular Weight

304.35