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=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(COC4CCC4)C3)CC2)s1
InChI=1S/C25H33F2N5O2S/c26-18-11-21(27)22(28-12-18)13-29-24(33)23-14-30-25(35-23)31-9-6-19(7-10-31)32-8-2-3-17(15-32)16-34-20-4-1-5-20/h11-12,14,17,19-20H,1-10,13,15-16H2,(H,29,33)
KMNWWCLNNWZFIT-UHFFFAOYSA-N
505.64