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
COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3ccccc23)n1
InChI=1S/C25H28N6O/c1-29-12-14-31(15-13-29)18-8-9-22(24(16-18)32-3)28-25-26-11-10-21(27-25)20-17-30(2)23-7-5-4-6-19(20)23/h4-11,16-17H,12-15H2,1-3H3,(H,26,27,28)
NCVRLWMPFFMARQ-UHFFFAOYSA-N
428.54