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
C1=Cc2c(nc3ccccc3c2NCCCCCCNc2c3c(nc4ccccc24)CCC=C3)CC1
InChI=1S/C32H34N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3-7,9,13-17,19H,1-2,8,10-12,18,20-22H2,(H,33,35)(H,34,36)
DNBABFLPDWBYIL-UHFFFAOYSA-N
474.65