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
CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12
InChI=1S/C22H21FN8O3/c1-24-18-10-17(27-15-5-3-9-30(22(15)34)20-13(23)4-2-8-25-20)29-19-12(11-26-31(18)19)21(33)28-14-6-7-16(14)32/h2-5,8-11,14,16,24,32H,6-7H2,1H3,(H,27,29)(H,28,33)/t14-,16+/m1/s1
HWIBSYLXLSDVCS-ZBFHGGJFSA-N
464.46