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=C1C=C(N(Cc2cn(Cc3ccccc3)nn2)c2ccc(Cl)cc2)C(=O)c2ccccc21
InChI=1S/C26H19ClN4O2/c27-19-10-12-21(13-11-19)31(24-14-25(32)22-8-4-5-9-23(22)26(24)33)17-20-16-30(29-28-20)15-18-6-2-1-3-7-18/h1-14,16H,15,17H2
MOKHELIWTLKUEK-UHFFFAOYSA-N
454.92