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 C/C(=C\c1cc(C)ccc1/C=C(\C)C(=O)NC(=N)N)C(=O)N=C(N)N

InChI

InChI=1S/C17H22N6O2/c1-9-4-5-12(7-10(2)14(24)22-16(18)19)13(6-9)8-11(3)15(25)23-17(20)21/h4-8H,1-3H3,(H4,18,19,22,24)(H4,20,21,23,25)/b10-7+,11-8+

InChIKey UEWGFTFNXDMBAM-AMMQDNIMSA-N

Molecular Weight

342.4