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 Cn1c2ccccc2n2c(=O)c(-c3ccccc3)nnc12

InChI InChI=1S/C16H12N4O/c1-19-12-9-5-6-10-13(12)20-15(21)14(17-18-16(19)20)11-7-3-2-4-8-11/h2-10H,1H3

InChIKey YUHUCHUOJJIJPC-UHFFFAOYSA-N

Molecular Weight

276.3