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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(Cc3ccccc3F)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C31H28FN7O/c1-2-3-12-28-33-27-17-18-38(20-23-8-4-7-11-26(23)32)31(40)29(27)39(28)19-21-13-15-22(16-14-21)24-9-5-6-10-25(24)30-34-36-37-35-30/h4-11,13-18H,2-3,12,19-20H2,1H3,(H,34,35,36,37)
ZWJUNLRWRHFLJR-UHFFFAOYSA-N
533.61
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