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 CCn1cncc1-c1c[nH]c2ccc(C)cc12

InChI InChI=1S/C14H15N3/c1-3-17-9-15-8-14(17)12-7-16-13-5-4-10(2)6-11(12)13/h4-9,16H,3H2,1-2H3

InChIKey OZDZKNVFRWJEKF-UHFFFAOYSA-N

Molecular Weight

225.29