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
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(Sc3ccc(C(=O)NO)cc3)n2N)c1
InChI=1S/C19H22N6O4S2/c1-3-24(4-2)31(28,29)16-7-5-6-14(12-16)17-21-22-19(25(17)20)30-15-10-8-13(9-11-15)18(26)23-27/h5-12,27H,3-4,20H2,1-2H3,(H,23,26)
SQFCRUKKOCFQTP-UHFFFAOYSA-N
462.56