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 COc1cc(COc2cc(Cc3cnc(N)nc3N)ccc2OCc2ccccc2)cc(OC)c1OC

InChI

InChI=1S/C28H30N4O5/c1-33-24-13-20(14-25(34-2)26(24)35-3)17-37-23-12-19(11-21-15-31-28(30)32-27(21)29)9-10-22(23)36-16-18-7-5-4-6-8-18/h4-10,12-15H,11,16-17H2,1-3H3,(H4,29,30,31,32)

InChIKey BZOMCHHVNZCETR-UHFFFAOYSA-N

Molecular Weight

502.57

Search this InChIKey in ChEMBL →