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 Fc1ccc([C@H]2c3ccccc3CCN2C2=NC[C@H](C3CNC3)O2)cc1

InChI

InChI=1S/C21H22FN3O/c22-17-7-5-15(6-8-17)20-18-4-2-1-3-14(18)9-10-25(20)21-24-13-19(26-21)16-11-23-12-16/h1-8,16,19-20,23H,9-13H2/t19-,20+/m1/s1

InChIKey GRNAPJNONDNEMN-UXHICEINSA-N

Molecular Weight

351.43