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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)OC(=O)n1cc(-c2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c2c(N)ncnc21
InChI=1S/C25H29N7O4/c1-24(2,3)17-11-18(31-36-17)30-22(33)29-15-9-7-14(8-10-15)16-12-32(23(34)35-25(4,5)6)21-19(16)20(26)27-13-28-21/h7-13H,1-6H3,(H2,26,27,28)(H2,29,30,31,33)
DOUHFMRAGCQLKS-UHFFFAOYSA-N
491.55
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