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 Clc1ccc(Cn2nnc(-c3cn(Cc4ccccc4)c4ccccc34)n2)cc1Cl

InChI

InChI=1S/C23H17Cl2N5/c24-20-11-10-17(12-21(20)25)14-30-27-23(26-28-30)19-15-29(13-16-6-2-1-3-7-16)22-9-5-4-8-18(19)22/h1-12,15H,13-14H2

InChIKey LVKBHMSSDATROY-UHFFFAOYSA-N

Molecular Weight

434.33