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
CN(C)CCCNCc1ccc2nc3ccc4cc5cc(CNCCCN(C)C)ccc5nc4c3cc2c1
InChI=1S/C32H40N6/c1-37(2)15-5-13-33-21-23-8-11-30-26(17-23)19-25-9-12-31-28(32(25)36-30)20-27-18-24(7-10-29(27)35-31)22-34-14-6-16-38(3)4/h7-12,17-20,33-34H,5-6,13-16,21-22H2,1-4H3
NHTBLWMLKNYBKI-UHFFFAOYSA-N
508.71