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 CC(C)(C)c1cncn1CCNc1ccnc2cc(Cl)ccc12

InChI

InChI=1S/C18H21ClN4/c1-18(2,3)17-11-20-12-23(17)9-8-22-15-6-7-21-16-10-13(19)4-5-14(15)16/h4-7,10-12H,8-9H2,1-3H3,(H,21,22)

InChIKey NJRFHMFKBMMZTN-UHFFFAOYSA-N

Molecular Weight

328.85