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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(C(C(=O)N(CC)CC)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C36H38N8O2/c1-4-7-17-31-37-30-22-23-43(32(27-13-9-8-10-14-27)35(45)42(5-2)6-3)36(46)33(30)44(31)24-25-18-20-26(21-19-25)28-15-11-12-16-29(28)34-38-40-41-39-34/h8-16,18-23,32H,4-7,17,24H2,1-3H3,(H,38,39,40,41)
LCKGAPBQWRRWRL-UHFFFAOYSA-N
614.75
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