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
O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1cccc([N+](=O)[O-])c1
InChI=1S/C22H28N4O4/c27-22(24-19-8-5-9-20(16-19)26(28)29)23-11-6-14-30-21-10-4-7-18(15-21)17-25-12-2-1-3-13-25/h4-5,7-10,15-16H,1-3,6,11-14,17H2,(H2,23,24,27)
NCHFMUPYWCKMIZ-UHFFFAOYSA-N
412.49