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 CCOC(=O)CCn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O

InChI

InChI=1S/C15H21N5O6/c1-3-25-13(22)4-5-19-14(23)9(2)7-20(15(19)24)12-6-10(17-18-16)11(8-21)26-12/h7,10-12,21H,3-6,8H2,1-2H3

InChIKey DPBMSGQYTGKICH-UHFFFAOYSA-N

Molecular Weight

367.36