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
Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccccc3)c3cccc(F)c23)C2CC2)cc1=O
InChI=1S/C31H33FN4O2/c1-34-15-13-22(16-29(34)37)25-12-14-33-17-26(25)31(38)36(24-10-11-24)20-23-19-35(18-21-6-3-2-4-7-21)28-9-5-8-27(32)30(23)28/h2-9,13,15-16,19,24-26,33H,10-12,14,17-18,20H2,1H3/t25-,26+/m1/s1
CQPCSTONSYLHIT-FTJBHMTQSA-N
512.63