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(OC)c(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1
InChI=1S/C24H33N3O4/c1-29-20-10-11-23(30-2)22(17-20)26-24(28)25-12-7-15-31-21-9-6-8-19(16-21)18-27-13-4-3-5-14-27/h6,8-11,16-17H,3-5,7,12-15,18H2,1-2H3,(H2,25,26,28)
IWEHBWQRQSXYND-UHFFFAOYSA-N
427.55