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 NNc1nc(N)nc2[nH]cnc12

InChI InChI=1S/C5H7N7/c6-5-10-3-2(8-1-9-3)4(11-5)12-7/h1H,7H2,(H4,6,8,9,10,11,12)

InChIKey KNOLGURLPMQDCC-UHFFFAOYSA-N

Molecular Weight

165.16