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.

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Canonical SMILES Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCC(N(C)C)CC2)n1

InChI

InChI=1S/C23H34N6/c1-17-7-5-11-24-23(17)21-8-6-12-29(21)16-19-15-22(26-18(2)25-19)28-13-9-20(10-14-28)27(3)4/h5,7,11,15,20-21H,6,8-10,12-14,16H2,1-4H3/t21-/m0/s1

InChIKey BWQKYAVBAHLVDB-NRFANRHFSA-N

Molecular Weight

394.57

Search this InChIKey in ChEMBL →