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 COc1ccc(OC)c(Sc2[nH]c3nc(N)nc(N)c3c2C)c1

InChI

InChI=1S/C15H17N5O2S/c1-7-11-12(16)18-15(17)20-13(11)19-14(7)23-10-6-8(21-2)4-5-9(10)22-3/h4-6H,1-3H3,(H5,16,17,18,19,20)

InChIKey IFIQXNYLZYPKJD-UHFFFAOYSA-N

Molecular Weight

331.4