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 Cc1ccc2c(c1)ncn2-c1ccc2[nH]cc(C3CCNCC3)c2c1

InChI

InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3

InChIKey NJUMMJUUDUYSKB-UHFFFAOYSA-N

Molecular Weight

330.44