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
N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(F)cc4)CC3)c2c1
InChI=1S/C23H25FN4/c24-20-5-7-21(8-6-20)28-13-11-27(12-14-28)10-2-1-3-19-17-26-23-9-4-18(16-25)15-22(19)23/h4-9,15,17,26H,1-3,10-14H2
FAKUMASWBXILCF-UHFFFAOYSA-N
376.48