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 Nc1ncnc2c1ncn2[C@H]1CS[C@@H](CO)O1

InChI InChI=1S/C9H11N5O2S/c10-8-7-9(12-3-11-8)14(4-13-7)5-2-17-6(1-15)16-5/h3-6,15H,1-2H2,(H2,10,11,12)/t5-,6+/m1/s1

InChIKey GOIOKJULSNLSBB-RITPCOANSA-N

Molecular Weight

253.29