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 COc1nc2c(N(C)C)ncnc2n1Cc1ccccc1

InChI InChI=1S/C15H17N5O/c1-19(2)13-12-14(17-10-16-13)20(15(18-12)21-3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3

InChIKey ONAUTPMKWNGQBA-UHFFFAOYSA-N

Molecular Weight

283.33