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 COc1cncc(N2C[C@H]3CNC[C@H]32)c1

InChI InChI=1S/C11H15N3O/c1-15-10-2-9(4-13-5-10)14-7-8-3-12-6-11(8)14/h2,4-5,8,11-12H,3,6-7H2,1H3/t8-,11-/m1/s1

InChIKey IBEGQZNIXSCPIN-LDYMZIIASA-N

Molecular Weight

205.26