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
O=C(Nc1nc2ccc(Cl)cc2s1)c1c(O)c2cccc3c2n(c1=O)CC3
InChI=1S/C19H12ClN3O3S/c20-10-4-5-12-13(8-10)27-19(21-12)22-17(25)14-16(24)11-3-1-2-9-6-7-23(15(9)11)18(14)26/h1-5,8,24H,6-7H2,(H,21,22,25)
JYEPCETVSMOSNA-UHFFFAOYSA-N
397.84