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 COc1cccc(Cn2nnc(-c3cn(Cc4ccc(C)cc4)c4ccccc34)n2)c1

InChI

InChI=1S/C25H23N5O/c1-18-10-12-19(13-11-18)15-29-17-23(22-8-3-4-9-24(22)29)25-26-28-30(27-25)16-20-6-5-7-21(14-20)31-2/h3-14,17H,15-16H2,1-2H3

InChIKey YQXFRUULNOZFJC-UHFFFAOYSA-N

Molecular Weight

409.49