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
NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChI=1S/C19H19N3O3/c20-17(23)16-7-4-12-22(16)19(25)14-8-10-15(11-9-14)21-18(24)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H2,20,23)(H,21,24)/t16-/m0/s1
ZYYRCAUUMCOGBO-INIZCTEOSA-N
337.38