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(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cccn1
InChI=1S/C23H20ClF2N7O2/c24-19-13-29-21(30-15-23(25,26)18-8-3-4-9-27-18)22(35)32(19)14-20(34)28-12-16-6-1-2-7-17(16)33-11-5-10-31-33/h1-11,13H,12,14-15H2,(H,28,34)(H,29,30)
ZOQMMFQDQXUNEA-UHFFFAOYSA-N
499.91