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(OC[C@H](CO)OCP(=O)(O)O)nc(N)n1

InChI

InChI=1S/C8H15N4O6P/c9-6-1-7(12-8(10)11-6)17-3-5(2-13)18-4-19(14,15)16/h1,5,13H,2-4H2,(H2,14,15,16)(H4,9,10,11,12)/t5-/m0/s1

InChIKey SDORNFBUOMQVCA-YFKPBYRVSA-N

Molecular Weight

294.2