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
COCCNCCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21
InChI=1S/C23H24F2N4O3/c1-32-13-10-26-9-12-29-19-14-15(24)6-7-18(19)28-11-8-20(30)21(23(28)29)22(31)27-17-5-3-2-4-16(17)25/h2-7,14,26H,8-13H2,1H3,(H,27,31)
HYSCJLAJBAMWFN-UHFFFAOYSA-N
442.47