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 CCCCc1nc2c(C)ccnc2n1Cc1cc(Cl)c(O)c(Cl)c1

InChI InChI=1S/C18H19Cl2N3O/c1-3-4-5-15-22-16-11(2)6-7-21-18(16)23(15)10-12-8-13(19)17(24)14(20)9-12/h6-9,24H,3-5,10H2,1-2H3

InChIKey RVAYPSHVUIRBCM-UHFFFAOYSA-N

Molecular Weight

364.28