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 CC(=O)NNS(=O)(=O)c1ccc2nc(-c3c(C)n[nH]c3N)sc2c1

InChI

InChI=1S/C13H14N6O3S2/c1-6-11(12(14)18-16-6)13-15-9-4-3-8(5-10(9)23-13)24(21,22)19-17-7(2)20/h3-5,19H,1-2H3,(H,17,20)(H3,14,16,18)

InChIKey NZMNHEDTRJETPO-UHFFFAOYSA-N

Molecular Weight

366.43