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 COC(c1ccc(Cl)cc1)(c1ccc2cncc(-c3c(F)cccc3F)c2c1)c1cncn1C

InChI

InChI=1S/C27H20ClF2N3O/c1-33-16-32-15-25(33)27(34-2,18-8-10-20(28)11-9-18)19-7-6-17-13-31-14-22(21(17)12-19)26-23(29)4-3-5-24(26)30/h3-16H,1-2H3

InChIKey NORYEFIWLWVYDJ-UHFFFAOYSA-N

Molecular Weight

475.93