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)Cn1c(-c2ccncc2)nc2c(C(N)=O)cccc21

InChI InChI=1S/C16H14N4O3/c1-23-13(21)9-20-12-4-2-3-11(15(17)22)14(12)19-16(20)10-5-7-18-8-6-10/h2-8H,9H2,1H3,(H2,17,22)

InChIKey JZAKGIXPCUQOIV-UHFFFAOYSA-N

Molecular Weight

310.31