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)c1nnc2ccc(-c3ocnc3-c3ccc(F)c(Cl)c3)cn12

InChI InChI=1S/C18H14ClFN4O/c1-10(2)18-23-22-15-6-4-12(8-24(15)18)17-16(21-9-25-17)11-3-5-14(20)13(19)7-11/h3-10H,1-2H3

InChIKey CTYRURASUKIBHM-UHFFFAOYSA-N

Molecular Weight

356.79