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 Cl.N=C(N)c1cccc(-c2cc(-c3cc(C(=N)N)ccn3)no2)c1

InChI

InChI=1S/C16H14N6O.ClH/c17-15(18)10-3-1-2-9(6-10)14-8-13(22-23-14)12-7-11(16(19)20)4-5-21-12;/h1-8H,(H3,17,18)(H3,19,20);1H

InChIKey HFIVVMNAJUWTRP-UHFFFAOYSA-N

Molecular Weight

342.79