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
COc1cc(N2C[C@H]3CC[C@@H](C2)[C@@H]3Nc2nc3n(n2)CCCN3c2cccc(F)c2)ccn1
InChI=1S/C24H28FN7O/c1-33-21-13-19(8-9-26-21)30-14-16-6-7-17(15-30)22(16)27-23-28-24-31(10-3-11-32(24)29-23)20-5-2-4-18(25)12-20/h2,4-5,8-9,12-13,16-17,22H,3,6-7,10-11,14-15H2,1H3,(H,27,29)/t16-,17+,22-
CYQUZTVMTBZINH-FAQVEIGNSA-N
449.53