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 Cc1nc(-c2ccc3c(c2)NC(=O)CO3)c(-c2ccccc2)s1

InChI InChI=1S/C18H14N2O2S/c1-11-19-17(18(23-11)12-5-3-2-4-6-12)13-7-8-15-14(9-13)20-16(21)10-22-15/h2-9H,10H2,1H3,(H,20,21)

InChIKey FDLIIZYGIXSJSU-UHFFFAOYSA-N

Molecular Weight

322.39