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
Cc1ccc2oc(=O)c(C(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1
InChI=1S/C29H31N3O3/c1-19-13-14-26-20(17-19)18-23(29(34)35-26)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)
DSNCCKXVOUSUFC-UHFFFAOYSA-N
469.59