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
CCOC(=O)/C=C1\CC(C)(C)CC(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C25H27N5O3/c1-4-33-23(32)13-19-14-25(2,3)15-22(31)30(19)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)24-26-28-29-27-24/h5-13H,4,14-16H2,1-3H3,(H,26,27,28,29)/b19-13+
CGVJXFIUZVKUIC-CPNJWEJPSA-N
445.52