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(nc3ccccc3c2NCCCCCCCCNc2c3c(nc4ccccc24)CCC=C3)CC1
InChI=1S/C34H38N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5-9,11,15-19,21H,1-4,10,12-14,20,22-24H2,(H,35,37)(H,36,38)
OHWCVPQHWNYMHH-UHFFFAOYSA-N
502.71