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
CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(Cc3ccc(Br)cc3)c(=O)c2cc1F
InChI=1S/C33H38BrFN4O/c1-5-38(6-2)19-7-18-36-31-21-30-28(20-29(31)35)33(40)39(22-25-10-15-27(34)16-11-25)32(37-30)17-12-24-8-13-26(14-9-24)23(3)4/h8-17,20-21,23,36H,5-7,18-19,22H2,1-4H3/b17-12+
ZTSBFUZGEKUIED-SFQUDFHCSA-N
605.6