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
COc1cc2c(cc1OC)-c1[nH]nc(NCc3c(C)cccc3Cl)c1C2
InChI=1S/C20H20ClN3O2/c1-11-5-4-6-16(21)15(11)10-22-20-14-7-12-8-17(25-2)18(26-3)9-13(12)19(14)23-24-20/h4-6,8-9H,7,10H2,1-3H3,(H2,22,23,24)
PVHDDOYSCSRNHC-UHFFFAOYSA-N
369.85