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
O=c1c2ccccc2[se]n1CCCCNc1c2c(nc3ccccc13)CCCC2
InChI=1S/C24H25N3OSe/c28-24-19-11-3-6-14-22(19)29-27(24)16-8-7-15-25-23-17-9-1-4-12-20(17)26-21-13-5-2-10-18(21)23/h1,3-4,6,9,11-12,14H,2,5,7-8,10,13,15-16H2,(H,25,26)
ZHNPSCBRTVYPSQ-UHFFFAOYSA-N
450.44