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
CCOC(=O)c1sc(N/N=C/c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)nc1C
InChI=1S/C22H19ClN4O2S/c1-3-29-21(28)20-13(2)25-22(30-20)27-24-12-17-16-6-4-5-7-18(16)26-19(17)14-8-10-15(23)11-9-14/h4-12,26H,3H2,1-2H3,(H,25,27)/b24-12+
IBJWBDLQABBFEW-WYMPLXKRSA-N
438.94