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(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)nn1
InChI=1S/C28H27ClN6O4/c1-18-2-11-25(34-33-18)39-23-9-7-22(8-10-23)31-28-30-16-24(32-26(36)20-12-14-38-15-13-20)27(37)35(28)17-19-3-5-21(29)6-4-19/h2-11,16,20H,12-15,17H2,1H3,(H,30,31)(H,32,36)
NPYMRBJJKMZKTN-UHFFFAOYSA-N
547.02