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
CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
InChI=1S/C21H30F3N3O/c1-16(28)25-19-7-5-17(6-8-19)9-10-26-11-13-27(14-12-26)20-4-2-3-18(15-20)21(22,23)24/h2-4,15,17,19H,5-14H2,1H3,(H,25,28)/t17-,19-
ODNRLPHKNBBCKK-UAPYVXQJSA-N
397.49