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
CN(C)Cc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12
InChI=1S/C23H28N4/c1-26(2)15-20-19-11-5-4-8-18(19)14-25-21(20)16-27(3)22-12-6-9-17-10-7-13-24-23(17)22/h4-5,7-8,10-11,13-14,22H,6,9,12,15-16H2,1-3H3/t22-/m0/s1
QSDDMCBQTGWONN-QFIPXVFZSA-N
360.51