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 N=C(N)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1

InChI

InChI=1S/C16H16N4O2/c17-16(18)20-14(10-5-7-11(21)8-6-10)9-13(19-20)12-3-1-2-4-15(12)22/h1-8,14,21-22H,9H2,(H3,17,18)/t14-/m0/s1

InChIKey FSZWTHSQGICTMA-AWEZNQCLSA-N

Molecular Weight

296.33