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(Cc2ccccc2C(=O)OC)c1=O
InChI=1S/C22H26N4O4/c1-3-4-12-25-19(24-11-7-9-17(23)15-24)13-20(27)26(22(25)29)14-16-8-5-6-10-18(16)21(28)30-2/h5-6,8,10,13,17H,7,9,11-12,14-15,23H2,1-2H3/t17-/m1/s1
TZWPJJOXMXYRTL-QGZVFWFLSA-N
410.47