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
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ncccc2C(=O)O)cc1
InChI=1S/C23H22N4O2/c1-4-19-26-20-14(2)12-15(3)25-22(20)27(19)13-16-7-9-17(10-8-16)21-18(23(28)29)6-5-11-24-21/h5-12H,4,13H2,1-3H3,(H,28,29)
WNOVNRNMKSZCHV-UHFFFAOYSA-N
386.46