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 CCNc1ncnc2c1ncn2Cc1ccccc1

InChI InChI=1S/C14H15N5/c1-2-15-13-12-14(17-9-16-13)19(10-18-12)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,15,16,17)

InChIKey JZDSDAMMPUJMHL-UHFFFAOYSA-N

Molecular Weight

253.31