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 Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(F)(F)F

InChI InChI=1S/C14H13F3N6/c1-7-20-10-3-2-9(8-4-11(18)22-12(19)5-8)21-13(10)23(7)6-14(15,16)17/h2-5H,6H2,1H3,(H4,18,19,22)

InChIKey QHTJZFWEQYRYQE-UHFFFAOYSA-N

Molecular Weight

322.29