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(c1cccc(N)n1)N(CCCCN)Cc1nc2ccccc2[nH]1

InChI

InChI=1S/C19H26N6/c1-14(15-9-6-10-18(21)22-15)25(12-5-4-11-20)13-19-23-16-7-2-3-8-17(16)24-19/h2-3,6-10,14H,4-5,11-13,20H2,1H3,(H2,21,22)(H,23,24)

InChIKey PVNOQBSJJFCQGF-UHFFFAOYSA-N

Molecular Weight

338.46