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 Cc1nc(C)c(CO)nc1C

InChI InChI=1S/C8H12N2O/c1-5-6(2)10-8(4-11)7(3)9-5/h11H,4H2,1-3H3

InChIKey LAXOCXPBJXIBHO-UHFFFAOYSA-N

Molecular Weight

152.2