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
CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCCC4)nc23)CC1
InChI=1S/C19H26N4O/c1-23-10-8-13(9-11-23)15-12-20-16-6-7-17(21-18(15)16)22-19(24)14-4-2-3-5-14/h6-7,12-14,20H,2-5,8-11H2,1H3,(H,21,22,24)
ZWNFGXDUPNOZMG-UHFFFAOYSA-N
326.44