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
C(=C1\CCCN(c2ccc(C3=NCCN3)cc2)C1)/c1ccc(C2=NCCN2)cc1
InChI=1S/C24H27N5/c1-2-19(16-18-3-5-20(6-4-18)23-25-11-12-26-23)17-29(15-1)22-9-7-21(8-10-22)24-27-13-14-28-24/h3-10,16H,1-2,11-15,17H2,(H,25,26)(H,27,28)/b19-16-
YYVFIGGEWQGLMO-MNDPQUGUSA-N
385.52