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=C1C2C3C=CC(C4CCC34)C2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChI=1S/C26H32ClN3O2/c27-17-4-3-5-18(16-17)29-14-12-28(13-15-29)10-1-2-11-30-25(31)23-21-8-9-22(24(23)26(30)32)20-7-6-19(20)21/h3-5,8-9,16,19-24H,1-2,6-7,10-15H2
QDFOJWNWQBMVOL-UHFFFAOYSA-N
454.01