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 COCCNC(=N)NCCC[C@H](N)C(=O)NOC

InChI InChI=1S/C10H23N5O3/c1-17-7-6-14-10(12)13-5-3-4-8(11)9(16)15-18-2/h8H,3-7,11H2,1-2H3,(H,15,16)(H3,12,13,14)/t8-/m0/s1

InChIKey FDJCIZZHMDNHDN-QMMMGPOBSA-N

Molecular Weight

261.33