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 CCOP(=O)(OCC)C(Nc1ccccc1C)c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(OC)c1

InChI

InChI=1S/C34H35FN3O6P/c1-5-43-45(40,44-6-2)33(37-28-13-9-7-11-23(28)3)24-15-20-30(31(21-24)41-4)42-22-32-36-29-14-10-8-12-27(29)34(39)38(32)26-18-16-25(35)17-19-26/h7-21,33,37H,5-6,22H2,1-4H3

InChIKey PNMOBYJSLJRIMZ-UHFFFAOYSA-N

Molecular Weight

631.64

Search this InChIKey in ChEMBL →