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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
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O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ccccc2)CC1
InChI=1S/C23H33N3O2/c27-21-18-23(10-4-5-11-23)19-22(28)26(21)13-7-6-12-24-14-16-25(17-15-24)20-8-2-1-3-9-20/h1-3,8-9H,4-7,10-19H2
NSXIWGZHXBZYNQ-UHFFFAOYSA-N
383.54
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