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 CSc1nc2cc(C(=O)Nc3cccc(Cl)n3)c(Cl)cc2[nH]1

InChI InChI=1S/C14H10Cl2N4OS/c1-22-14-17-9-5-7(8(15)6-10(9)18-14)13(21)20-12-4-2-3-11(16)19-12/h2-6H,1H3,(H,17,18)(H,19,20,21)

InChIKey IPHSSHKGLBXFFM-UHFFFAOYSA-N

Molecular Weight

353.23