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
C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3-c3ccsc3)C(=O)CCC2)cc1
InChI=1S/C28H27N3O2S/c1-18-15-27(33)30-31-28(18)19-9-11-22(12-10-19)29-25-7-4-8-26(32)24(25)16-20-5-2-3-6-23(20)21-13-14-34-17-21/h2-3,5-6,9-14,17-18,29H,4,7-8,15-16H2,1H3,(H,30,33)/t18-/m1/s1
CUIPNSQQJJVSFR-GOSISDBHSA-N
469.61