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 CCCCc1nc2cccnc2n1Cc1cc(Cl)c(O)c(Cl)c1

InChI InChI=1S/C17H17Cl2N3O/c1-2-3-6-15-21-14-5-4-7-20-17(14)22(15)10-11-8-12(18)16(23)13(19)9-11/h4-5,7-9,23H,2-3,6,10H2,1H3

InChIKey HSQDBOUDCJAHHH-UHFFFAOYSA-N

Molecular Weight

350.25