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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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CCCCc1nc2ccn(CC(=O)N(C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C33H32N8O2/c1-3-4-14-29-34-28-19-20-40(22-30(42)39(2)25-10-6-5-7-11-25)33(43)31(28)41(29)21-23-15-17-24(18-16-23)26-12-8-9-13-27(26)32-35-37-38-36-32/h5-13,15-20H,3-4,14,21-22H2,1-2H3,(H,35,36,37,38)
GKEUJIWSZBCQCW-UHFFFAOYSA-N
572.67
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