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 CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(=O)CSC5c5ccc(F)cc5F)cc4F)c3cc2OC)CC1

InChI

InChI=1S/C35H36F4N6O5S/c1-3-43-10-12-44(13-11-43)9-4-14-49-31-19-28-24(18-30(31)48-2)29(7-8-40-28)50-33-26(38)16-22(17-27(33)39)41-35(47)42-45-32(46)20-51-34(45)23-6-5-21(36)15-25(23)37/h5-8,15-19,34H,3-4,9-14,20H2,1-2H3,(H2,41,42,47)

InChIKey CTSDMCNSBRVZGJ-UHFFFAOYSA-N

Molecular Weight

728.77

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