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#CCn1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2ccc(F)cc2)nn1
InChI=1S/C21H14FN5O2/c22-14-5-7-16(8-6-14)27(13-15-12-26(10-9-23)25-24-15)19-11-20(28)17-3-1-2-4-18(17)21(19)29/h1-8,11-12H,10,13H2
HNMVCBHRDJFJFB-UHFFFAOYSA-N
387.37