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 Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2nc(Nc3ccccc3)ncc21

InChI

InChI=1S/C18H21N5O2/c1-22-15-11-19-17(20-12-5-3-2-4-6-12)21-16(15)23(18(22)25)13-7-9-14(24)10-8-13/h2-6,11,13-14,24H,7-10H2,1H3,(H,19,20,21)/t13-,14-

InChIKey HGNNONNHILOHLR-HDJSIYSDSA-N

Molecular Weight

339.4