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 CNC[C@H](/N=C1\NC=NC2C=CCC=C12)c1ccccc1

InChI

InChI=1S/C17H20N4/c1-18-11-16(13-7-3-2-4-8-13)21-17-14-9-5-6-10-15(14)19-12-20-17/h2-4,6-10,12,15-16,18H,5,11H2,1H3,(H,19,20,21)/t15?,16-/m0/s1

InChIKey RWOKWMSYJITVKH-LYKKTTPLSA-N

Molecular Weight

280.38