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 Cc1sc2ncnc(N)c2c1-c1ccc(Nc2nc3ccccc3o2)cc1

InChI

InChI=1S/C20H15N5OS/c1-11-16(17-18(21)22-10-23-19(17)27-11)12-6-8-13(9-7-12)24-20-25-14-4-2-3-5-15(14)26-20/h2-10H,1H3,(H,24,25)(H2,21,22,23)

InChIKey LVYKWIIPVPBKJT-UHFFFAOYSA-N

Molecular Weight

373.44