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
c1cc(CNc2csnc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)ccn1
InChI=1S/C19H16N6O3S/c1-2-15-16(27-8-7-26-15)9-13(1)22-19-24-23-18(28-19)17-14(11-29-25-17)21-10-12-3-5-20-6-4-12/h1-6,9,11,21H,7-8,10H2,(H,22,24)
BFMMASBZIJFKBE-UHFFFAOYSA-N
408.44