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 Cn1nnc(C2=CCCNC2)n1

InChI InChI=1S/C7H11N5/c1-12-10-7(9-11-12)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3

InChIKey LOCLBTCANXTQMC-UHFFFAOYSA-N

Molecular Weight

165.2