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
COc1ccc(C(=O)Nc2ccc(OCCCN(C)C)cc2)c(-c2cccc(O)c2)c1O
InChI=1S/C25H28N2O5/c1-27(2)14-5-15-32-20-10-8-18(9-11-20)26-25(30)21-12-13-22(31-3)24(29)23(21)17-6-4-7-19(28)16-17/h4,6-13,16,28-29H,5,14-15H2,1-3H3,(H,26,30)
GRQAFWNNXGJOJR-UHFFFAOYSA-N
436.51