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(C)C)c1

InChI

InChI=1S/C17H21N5O2S/c1-8(2)12-13-14(18)20-17(19)22-15(13)21-16(12)25-11-7-9(23-3)5-6-10(11)24-4/h5-8H,1-4H3,(H5,18,19,20,21,22)

InChIKey BTBQTWVIVOSWJB-UHFFFAOYSA-N

Molecular Weight

359.46