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)cn1
InChI=1S/C29H28ClN5O4/c1-19-2-9-25(16-31-19)39-24-10-7-23(8-11-24)33-29-32-17-26(34-27(36)21-12-14-38-15-13-21)28(37)35(29)18-20-3-5-22(30)6-4-20/h2-11,16-17,21H,12-15,18H2,1H3,(H,32,33)(H,34,36)
NSFSMCRLIJEAOT-UHFFFAOYSA-N
546.03