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 CCc1nnc2c(N(CC)CC)nc3ccccc3n12

InChI InChI=1S/C15H19N5/c1-4-13-17-18-15-14(19(5-2)6-3)16-11-9-7-8-10-12(11)20(13)15/h7-10H,4-6H2,1-3H3

InChIKey CCYLTMPHQCIOMN-UHFFFAOYSA-N

Molecular Weight

269.35