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 Cc1cccc(-n2nc(-c3ccccc3)c3c(=O)n(C)c4ccccc4c32)c1

InChI

InChI=1S/C24H19N3O/c1-16-9-8-12-18(15-16)27-23-19-13-6-7-14-20(19)26(2)24(28)21(23)22(25-27)17-10-4-3-5-11-17/h3-15H,1-2H3

InChIKey SHJSDUBZHFLXCN-UHFFFAOYSA-N

Molecular Weight

365.44