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
O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2
InChI=1S/C28H28Cl2FN3O/c29-25-6-3-7-26(27(25)30)34-14-12-33(13-15-34)18-22(31)10-11-32-28(35)20-8-9-24-21(17-20)16-19-4-1-2-5-23(19)24/h1-9,17,22H,10-16,18H2,(H,32,35)
GTBCNDPVHSBZNR-UHFFFAOYSA-N
512.46