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
Brc1cccc(Oc2ccnc(NC3CCN(Cc4n[nH]c5ccccc45)CC3)n2)c1
InChI=1S/C23H23BrN6O/c24-16-4-3-5-18(14-16)31-22-8-11-25-23(27-22)26-17-9-12-30(13-10-17)15-21-19-6-1-2-7-20(19)28-29-21/h1-8,11,14,17H,9-10,12-13,15H2,(H,28,29)(H,25,26,27)
KAPQREVJULOQRQ-UHFFFAOYSA-N
479.38