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
Nc1nc(N2CCN3C[C@@H](COc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12
InChI=1S/C22H25N9O2/c23-20-26-21(27-22-25-19(28-31(20)22)18-4-2-10-32-18)30-9-8-29-12-15(5-6-16(29)13-30)14-33-17-3-1-7-24-11-17/h1-4,7,10-11,15-16H,5-6,8-9,12-14H2,(H2,23,25,26,27,28)/t15-,16-/m0/s1
KHVFGJJNDRNHLI-HOTGVXAUSA-N
447.5