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 Cn1cc(-c2cc(F)c3nnc(Cc4ccc5nccnc5c4)n3c2)cn1

InChI

InChI=1S/C19H14FN7/c1-26-10-14(9-23-26)13-8-15(20)19-25-24-18(27(19)11-13)7-12-2-3-16-17(6-12)22-5-4-21-16/h2-6,8-11H,7H2,1H3

InChIKey OOPMTQUFLBFANM-UHFFFAOYSA-N

Molecular Weight

359.37