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 Cc1ncnc(N2C[C@H]3CC[C@@H](C2)[C@@H]3Nc2nc3n(n2)CCCN3c2cccc(F)c2)c1F

InChI

InChI=1S/C23H26F2N8/c1-14-19(25)21(27-13-26-14)31-11-15-6-7-16(12-31)20(15)28-22-29-23-32(8-3-9-33(23)30-22)18-5-2-4-17(24)10-18/h2,4-5,10,13,15-16,20H,3,6-9,11-12H2,1H3,(H,28,30)/t15-,16+,20-

InChIKey SLAWDKYXFFJMLG-CWPLJXCYSA-N

Molecular Weight

452.51

Search this InChIKey in ChEMBL →