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 Cc1c(OC(=O)N(C)C)c(=O)ccn1-c1ccc(OC(=O)N(C)C)cc1

InChI InChI=1S/C18H21N3O5/c1-12-16(26-18(24)20(4)5)15(22)10-11-21(12)13-6-8-14(9-7-13)25-17(23)19(2)3/h6-11H,1-5H3

InChIKey MLSOAYLTPNJECC-UHFFFAOYSA-N

Molecular Weight

359.38