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 c1cncc(N2C[C@@H]3CNC[C@@H]32)c1

InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-12-6-10(8)13/h1-3,5,8,10,12H,4,6-7H2/t8-,10-/m0/s1

InChIKey XHYQJTGLPJMMEB-WPRPVWTQSA-N

Molecular Weight

175.24