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
CN1CCN=C1c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChI=1S/C23H19Cl2N5O2/c1-30-11-10-26-21(30)14-2-4-15(5-3-14)22(31)28-19-8-6-16(24)12-18(19)23(32)29-20-9-7-17(25)13-27-20/h2-9,12-13H,10-11H2,1H3,(H,28,31)(H,27,29,32)
LKPZPGHQDNNARH-UHFFFAOYSA-N
468.34