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 CN1CCN(CCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

InChI InChI=1S/C17H22N6/c1-21-6-8-22(9-7-21)5-4-14-11-18-17-3-2-15(10-16(14)17)23-12-19-20-13-23/h2-3,10-13,18H,4-9H2,1H3

InChIKey YOIQHSYPJYUDKZ-UHFFFAOYSA-N

Molecular Weight

310.41