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 C/C(=N\N=C(/S)N1CC2CCC(CC2)C1)c1cc(C)ncn1

InChI

InChI=1S/C16H23N5S/c1-11-7-15(18-10-17-11)12(2)19-20-16(22)21-8-13-3-4-14(9-21)6-5-13/h7,10,13-14H,3-6,8-9H2,1-2H3,(H,20,22)/b19-12+

InChIKey WLDJXWCVEAJJOY-XDHOZWIPSA-N

Molecular Weight

317.46