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=CC(=O)Nc1cccc(-c2ncnc3[nH]cc(CCOC)c23)c1
InChI=1S/C18H18N4O2/c1-3-15(23)22-14-6-4-5-12(9-14)17-16-13(7-8-24-2)10-19-18(16)21-11-20-17/h3-6,9-11H,1,7-8H2,2H3,(H,22,23)(H,19,20,21)
HPOCKNFSXXGFOP-UHFFFAOYSA-N
322.37