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
c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc2)cc1
InChI=1S/C32H33N5/c1-2-8-24(9-3-1)20-33-21-25-15-17-26(18-16-25)22-37(23-31-35-28-12-4-5-13-29(28)36-31)30-14-6-10-27-11-7-19-34-32(27)30/h1-5,7-9,11-13,15-19,30,33H,6,10,14,20-23H2,(H,35,36)
MOIAEONNKTVXJK-UHFFFAOYSA-N
487.65