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 Nc1cc(SCCOCP(=O)(O)O)nc(N)n1

InChI InChI=1S/C7H13N4O4PS/c8-5-3-6(11-7(9)10-5)17-2-1-15-4-16(12,13)14/h3H,1-2,4H2,(H2,12,13,14)(H4,8,9,10,11)

InChIKey HTTMIORNBSLASL-UHFFFAOYSA-N

Molecular Weight

280.25