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
Cc1ccc(N(Cc2cn(CC(=O)c3ccccc3)nn2)C2=CC(=O)c3ccccc3C2=O)cc1
InChI=1S/C28H22N4O3/c1-19-11-13-22(14-12-19)32(25-15-26(33)23-9-5-6-10-24(23)28(25)35)17-21-16-31(30-29-21)18-27(34)20-7-3-2-4-8-20/h2-16H,17-18H2,1H3
SEZOOUBLAKFVET-UHFFFAOYSA-N
462.51