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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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CC(C)/C=C/C(=O)Nc1cccc(Oc2nc(Nc3ccn(C)n3)nc3c2CSCC3)c1
InChI=1S/C23H26N6O2S/c1-15(2)7-8-21(30)24-16-5-4-6-17(13-16)31-22-18-14-32-12-10-19(18)25-23(27-22)26-20-9-11-29(3)28-20/h4-9,11,13,15H,10,12,14H2,1-3H3,(H,24,30)(H,25,26,27,28)/b8-7+
JXXVJRFIPHKTNW-BQYQJAHWSA-N
450.57
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