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 COC(=O)CCSc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1

InChI

InChI=1S/C19H21N3O2S/c1-21(2)15-6-4-14(5-7-15)17-13-22-12-16(8-9-18(22)20-17)25-11-10-19(23)24-3/h4-9,12-13H,10-11H2,1-3H3

InChIKey RWXGGIYJYAMLQN-UHFFFAOYSA-N

Molecular Weight

355.46