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 CN(C)C(=O)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2ccccc21

InChI

InChI=1S/C18H16N6O3/c1-22(2)18(26)24-12-6-4-3-5-11(12)23-9-19-13(14(23)17(24)25)15-20-16(27-21-15)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3

InChIKey NPTVQILJLLYYBH-UHFFFAOYSA-N

Molecular Weight

364.37