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 Nc1nc(N)c(-c2ccccc2)c(CCc2ccccc2OCc2ccccc2)n1

InChI

InChI=1S/C25H24N4O/c26-24-23(20-12-5-2-6-13-20)21(28-25(27)29-24)16-15-19-11-7-8-14-22(19)30-17-18-9-3-1-4-10-18/h1-14H,15-17H2,(H4,26,27,28,29)

InChIKey MBMDTWMSDUIOQM-UHFFFAOYSA-N

Molecular Weight

396.49