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 Cl.N#C[C@@H]1CS[C@H]2C[C@](N)(C3CCCC3)C(=O)N12

InChI InChI=1S/C12H17N3OS.ClH/c13-6-9-7-17-10-5-12(14,11(16)15(9)10)8-3-1-2-4-8;/h8-10H,1-5,7,14H2;1H/t9-,10+,12+;/m1./s1

InChIKey NNGMKDJOKUWNGN-NMMPVGNLSA-N

Molecular Weight

287.82