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 CSc1nnc(-c2ccc(N)nc2C)o1.O=C(O)C(F)(F)F

InChI InChI=1S/C9H10N4OS.C2HF3O2/c1-5-6(3-4-7(10)11-5)8-12-13-9(14-8)15-2;3-2(4,5)1(6)7/h3-4H,1-2H3,(H2,10,11);(H,6,7)

InChIKey QTHMHZLQSMPVDA-UHFFFAOYSA-N

Molecular Weight

336.29