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
N=c1oc2ccccc2cc1-n1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2ccc(F)cc2)nn1
InChI=1S/C28H18FN5O3/c29-18-9-11-20(12-10-18)33(23-14-25(35)21-6-2-3-7-22(21)27(23)36)15-19-16-34(32-31-19)24-13-17-5-1-4-8-26(17)37-28(24)30/h1-14,16,30H,15H2
JORGFKJNOLDKPP-UHFFFAOYSA-N
491.48