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#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cn(-c3ccccc3)nn2)c1=O
InChI=1S/C22H25N7O2/c1-2-3-12-27-20(26-11-7-8-17(23)14-26)13-21(30)28(22(27)31)15-18-16-29(25-24-18)19-9-5-4-6-10-19/h4-6,9-10,13,16-17H,7-8,11-12,14-15,23H2,1H3/t17-/m1/s1
CWIPEBPQVFJQPU-QGZVFWFLSA-N
419.49