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 Nc1c2c(nc3ccccc13)CC[C@H](O)[C@H]2O

InChI InChI=1S/C13H14N2O2/c14-12-7-3-1-2-4-8(7)15-9-5-6-10(16)13(17)11(9)12/h1-4,10,13,16-17H,5-6H2,(H2,14,15)/t10-,13+/m0/s1

InChIKey OHXAQTABIOETBM-GXFFZTMASA-N

Molecular Weight

230.27