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
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1ccc(C(F)(F)F)cc1
InChI=1S/C20H20F3N5O/c1-28(2)10-16(12-6-8-13(9-7-12)20(21,22)23)27-19-15-5-3-4-14(18(24)29)17(15)25-11-26-19/h3-9,11,16H,10H2,1-2H3,(H2,24,29)(H,25,26,27)
ZJDZJPZEQDNRHD-UHFFFAOYSA-N
403.41