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 CC[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O.Cl

InChI InChI=1S/C9H13N3OS.ClH/c1-2-9(11)3-7-12(8(9)13)6(4-10)5-14-7;/h6-7H,2-3,5,11H2,1H3;1H/t6-,7+,9-;/m1./s1

InChIKey ZQQFPPKMYZHMHI-GJRYXAKSSA-N

Molecular Weight

247.75