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 Nc1nc(N)c2c(ccc3c2ccn3Cc2cccc(F)c2)n1

InChI InChI=1S/C17H14FN5/c18-11-3-1-2-10(8-11)9-23-7-6-12-14(23)5-4-13-15(12)16(19)22-17(20)21-13/h1-8H,9H2,(H4,19,20,21,22)

InChIKey IUBIUOFPWZSBMU-UHFFFAOYSA-N

Molecular Weight

307.33