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=C1C2C3C=CC(CCC3)C2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1
InChI=1S/C23H30ClN5O2/c24-18-14-25-15-19(26-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-4-3-5-17(7-6-16)21(20)23(29)31/h6-7,14-17,20-21H,1-5,8-13H2
JWYMJWDIWFHMKV-UHFFFAOYSA-N
443.98