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 Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4)cn3n2)o1

InChI InChI=1S/C16H17N5O2/c1-10-4-5-13(23-10)14-18-15-12(17)8-11(9-21(15)19-14)16(22)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,17H2,1H3

InChIKey HFXWHDXIYAZHEK-UHFFFAOYSA-N

Molecular Weight

311.34