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
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCNC(=O)C4)cc3)ncc2c1=O
InChI=1S/C30H31N7O4/c1-41-35-29(40)25-17-37(23-10-7-20-3-2-4-21(20)15-23)28-24(27(25)39)16-32-30(34-28)33-22-8-5-19(6-9-22)11-13-36-14-12-31-26(38)18-36/h5-10,15-17H,2-4,11-14,18H2,1H3,(H,31,38)(H,35,40)(H,32,33,34)
BXLHQIPDVVBUIY-UHFFFAOYSA-N
553.62