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 Nc1nc(N)c2c3c(ccc2n1)CCC3

InChI InChI=1S/C11H12N4/c12-10-9-7-3-1-2-6(7)4-5-8(9)14-11(13)15-10/h4-5H,1-3H2,(H4,12,13,14,15)

InChIKey PETKLTZHTVYCPV-UHFFFAOYSA-N

Molecular Weight

200.24